N-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine

C24H28N4O — CID 123451628

IUPACN-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
SMILESCCC(C)(CNc1cc(-c2ccc(C)nc2)ncn1)c1ccccc1OC1CC1
InChIInChI=1S/C24H28N4O/c1-4-24(3,20-7-5-6-8-22(20)29-19-11-12-19)15-26-23-13-21(27-16-28-23)18-10-9-17(2)25-14-18/h5-10,13-14,16,19H,4,11-12,15H2,1-3H3,(H,26,27,28)
InChIKeyRWFHVPVYCBXOOQ-UHFFFAOYSA-N
MW388.52 g/mol
LogP5.17
Rot. Bonds8

About N-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine

N-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine (PubChem CID 123451628) has the molecular formula C24H28N4O and a molecular weight of 388.52 g/mol. Its IUPAC name is N-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
PubChem CID123451628
Molecular FormulaC24H28N4O
Molecular Weight388.52 g/mol
Exact Mass388.23
IUPAC NameN-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
SMILESCCC(C)(CNc1cc(-c2ccc(C)nc2)ncn1)c1ccccc1OC1CC1
InChIInChI=1S/C24H28N4O/c1-4-24(3,20-7-5-6-8-22(20)29-19-11-12-19)15-26-23-13-21(27-16-28-23)18-10-9-17(2)25-14-18/h5-10,13-14,16,19H,4,11-12,15H2,1-3H3,(H,26,27,28)
InChIKeyRWFHVPVYCBXOOQ-UHFFFAOYSA-N
XLogP5.17
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.52
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-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

6-[6-[(1-cyclopropylpiperidin-4-yl)amino]-3-pyridinyl]-N-[(2S)-2-(2-methoxyphenyl)-2-methylbutyl]pyrimidin-4-amine
CID 163540662
N-[2-(3-fluoroquinolin-8-yl)-2-methylbutyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
CID 123686191
(3S)-1-[5-[6-[2-(2-ethoxyphenyl)ethylamino]pyrimidin-4-yl]-2-pyridinyl]pyrrolidin-3-ol
CID 73213502
8-[1-[[6-(4-methoxyphenyl)pyrimidin-4-yl]amino]-2-methylbutan-2-yl]-N-methylquinoline-4-carboxamide
CID 123371223
6-(4-cyclopropyloxyphenyl)-N-methylpyrimidin-4-amine
CID 114520318
N-(6-methyl-3-pyridinyl)-6-phenylpyrimidin-4-amine
CID 58119047
N-[2-(4,5-difluoro-2-methoxyphenyl)propyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine
CID 73213576
N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
CID 123915678
8-[(2R)-1-[[6-[2-[(1-acetylpiperidin-4-yl)amino]pyrimidin-5-yl]pyrimidin-4-yl]amino]-2-methylbutan-2-yl]-5-fluoro-N-methylquinoline-4-carboxamide
CID 134289043
N-[2-(2-ethoxyphenyl)ethyl]-6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]pyrimidin-4-amine
CID 130428592
8-[(2S)-1-[[6-(7,7-dimethyl-5H-furo[3,4-b]pyridin-3-yl)pyrimidin-4-yl]amino]-2-methylbutan-2-yl]-3-fluoro-N-methylquinoline-4-carboxamide
CID 144832076
6-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-N-[2-[2-(oxetan-3-yloxy)phenyl]propyl]pyrimidin-4-amine
CID 73213506

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of N-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine (CID 123451628) is N-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for N-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for N-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine is CCC(C)(CNc1cc(-c2ccc(C)nc2)ncn1)c1ccccc1OC1CC1.
What is the InChIKey of N-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is RWFHVPVYCBXOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O/c1-4-24(3,20-7-5-6-8-22(20)29-19-11-12-19)15-26-23-13-21(27-16-28-23)18-10-9-17(2)25-14-18/h5-10,13-14,16,19H,4,11-12,15H2,1-3H3,(H,26,27,28).
What are the key properties of N-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine?
N-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 388.52 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-cyclopropyloxyphenyl)-2-methylbutyl]-6-(6-methyl-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 123451628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).