N-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine

C27H34N8O — CID 68983451

IUPACN-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine
SMILESCN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1
InChIInChI=1S/C27H34N8O/c1-33-18-24-16-23(33)19-35(24)22-5-3-21(4-6-22)31-27-29-9-8-25(32-27)20-2-7-26(30-17-20)28-10-11-34-12-14-36-15-13-34/h2-9,17,23-24H,10-16,18-19H2,1H3,(H,28,30)(H,29,31,32)/t23-,24-/m0/s1
InChIKeySILGEORVGYRXSO-ZEQRLZLVSA-N
MW486.62 g/mol
LogP2.92
Rot. Bonds8

About N-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine

N-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine (PubChem CID 68983451) has the molecular formula C27H34N8O and a molecular weight of 486.62 g/mol. Its IUPAC name is N-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine
PubChem CID68983451
Molecular FormulaC27H34N8O
Molecular Weight486.62 g/mol
Exact Mass486.29
IUPAC NameN-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine
SMILESCN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1
InChIInChI=1S/C27H34N8O/c1-33-18-24-16-23(33)19-35(24)22-5-3-21(4-6-22)31-27-29-9-8-25(32-27)20-2-7-26(30-17-20)28-10-11-34-12-14-36-15-13-34/h2-9,17,23-24H,10-16,18-19H2,1H3,(H,28,30)(H,29,31,32)/t23-,24-/m0/s1
InChIKeySILGEORVGYRXSO-ZEQRLZLVSA-N
XLogP2.92
TPSA81.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[2-[[5-methyl-6-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-2-pyridinyl]-2-morpholin-4-ylacetamide
CID 68985507
N-[5-[2-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]pyrimidin-4-yl]-2-pyridinyl]acetamide
CID 68989580
N-[3-methyl-4-(5-methylsulfonyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl]-4-[6-(propylamino)-3-pyridinyl]pyrimidin-2-amine
CID 68987485
1-[4-[4-[[4-[6-(2-aminoethylamino)-3-pyridinyl]pyrimidin-2-yl]amino]phenyl]piperazin-1-yl]ethanol
CID 71290370
N-[3-methyl-4-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)phenyl]-4-[6-(propylamino)-3-pyridinyl]pyrimidin-2-amine
CID 68984822
4-[6-(dimethylamino)-3-pyridinyl]-N-[3-fluoro-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrimidin-2-amine
CID 68985183
N-(2-morpholin-4-ylethyl)-5-pyridin-3-ylpyridin-2-amine
CID 68563520
4-(4-methylphenyl)-N-(4-morpholin-4-ylphenyl)pyrimidin-2-amine
CID 145490173
N-methyl-5-[2-[3-methyl-4-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)anilino]pyrimidin-4-yl]pyridine-2-carboxamide
CID 68983580
7-[2-[3-methyl-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]anilino]pyrimidin-4-yl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 68989504
2-N,4-N-bis(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887262
5-(4-ethylphenyl)-N-(2-morpholin-4-ylethyl)pyridin-2-amine
CID 143501437

Frequently Asked Questions

What is the IUPAC name of N-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine (CID 68983451) is N-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine is CN1C[C@@H]2C[C@H]1CN2c1ccc(Nc2nccc(-c3ccc(NCCN4CCOCC4)nc3)n2)cc1.
What is the InChIKey of N-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine?
The InChIKey is SILGEORVGYRXSO-ZEQRLZLVSA-N. The full InChI is InChI=1S/C27H34N8O/c1-33-18-24-16-23(33)19-35(24)22-5-3-21(4-6-22)31-27-29-9-8-25(32-27)20-2-7-26(30-17-20)28-10-11-34-12-14-36-15-13-34/h2-9,17,23-24H,10-16,18-19H2,1H3,(H,28,30)(H,29,31,32)/t23-,24-/m0/s1.
What are the key properties of N-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine?
N-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine has a molecular weight of 486.62 g/mol, XLogP of 2.92, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-4-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 68983451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).