(3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine

C17H25N7O — CID 124559461

IUPAC(3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine
SMILESc1nc(N2CCOCC2)cc(N2CCC[C@@H](NCc3ncc[nH]3)C2)n1
InChIInChI=1S/C17H25N7O/c1-2-14(20-11-15-18-3-4-19-15)12-24(5-1)17-10-16(21-13-22-17)23-6-8-25-9-7-23/h3-4,10,13-14,20H,1-2,5-9,11-12H2,(H,18,19)/t14-/m1/s1
InChIKeyLNTMXDIHRZGTBR-CQSZACIVSA-N
MW343.44 g/mol
LogP0.79
Rot. Bonds5

About (3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine

(3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine (PubChem CID 124559461) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is (3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine.

Molecular Properties

Compound Name(3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine
PubChem CID124559461
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name(3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine
SMILESc1nc(N2CCOCC2)cc(N2CCC[C@@H](NCc3ncc[nH]3)C2)n1
InChIInChI=1S/C17H25N7O/c1-2-14(20-11-15-18-3-4-19-15)12-24(5-1)17-10-16(21-13-22-17)23-6-8-25-9-7-23/h3-4,10,13-14,20H,1-2,5-9,11-12H2,(H,18,19)/t14-/m1/s1
InChIKeyLNTMXDIHRZGTBR-CQSZACIVSA-N
XLogP0.79
TPSA82.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-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

(3S)-1-(6-morpholin-4-ylpyrimidin-4-yl)-N-phenylpiperidin-3-amine
CID 171084156
N-(1H-imidazol-2-ylmethyl)oxan-3-amine
CID 63359807
3-[(3S)-3-[(2-morpholin-4-ylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129475293
5-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]pyrazine-2-carboxylic acid
CID 122048024
4-[3-(1H-imidazol-2-yl)piperidin-1-yl]-6-morpholin-4-ylpyrimidin-2-amine
CID 70730935
(3S)-1-(3-chlorophenyl)-N-(1H-imidazol-2-ylmethyl)pyrrolidin-3-amine
CID 96564403
N-(1H-imidazol-2-ylmethyl)-1-propan-2-ylpyrrolidin-3-amine
CID 63823265
2-(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)-N-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]acetamide
CID 154849852
[6-[(3R)-3-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]methanol
CID 177305968
4-chloro-2-[[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]amino]benzonitrile
CID 133309975
1-[1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-yl]-3-thiophen-3-ylurea
CID 126777315
N-(1H-imidazol-2-ylmethyl)-1-propylazepan-4-amine
CID 65078294

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine?
The IUPAC name of (3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine (CID 124559461) is (3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine.
What is the SMILES notation for (3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine?
The canonical SMILES for (3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine is c1nc(N2CCOCC2)cc(N2CCC[C@@H](NCc3ncc[nH]3)C2)n1.
What is the InChIKey of (3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine?
The InChIKey is LNTMXDIHRZGTBR-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25N7O/c1-2-14(20-11-15-18-3-4-19-15)12-24(5-1)17-10-16(21-13-22-17)23-6-8-25-9-7-23/h3-4,10,13-14,20H,1-2,5-9,11-12H2,(H,18,19)/t14-/m1/s1.
What are the key properties of (3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine?
(3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine has a molecular weight of 343.44 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(1H-imidazol-2-ylmethyl)-1-(6-morpholin-4-ylpyrimidin-4-yl)piperidin-3-amine is sourced from PubChem (CID 124559461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).