N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide

C16H21N7O2 — CID 124943360

IUPACN-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCN(C)c1cc(N2CC[C@@](O)(CNC(=O)c3ccncn3)C2)ncn1
InChIInChI=1S/C16H21N7O2/c1-22(2)13-7-14(21-11-20-13)23-6-4-16(25,9-23)8-18-15(24)12-3-5-17-10-19-12/h3,5,7,10-11,25H,4,6,8-9H2,1-2H3,(H,18,24)/t16-/m1/s1
InChIKeyBBXINPUWPWUWIC-MRXNPFEDSA-N
MW343.39 g/mol
LogP-0.30
Rot. Bonds5

About N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide

N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide (PubChem CID 124943360) has the molecular formula C16H21N7O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
PubChem CID124943360
Molecular FormulaC16H21N7O2
Molecular Weight343.39 g/mol
Exact Mass343.18
IUPAC NameN-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
SMILESCN(C)c1cc(N2CC[C@@](O)(CNC(=O)c3ccncn3)C2)ncn1
InChIInChI=1S/C16H21N7O2/c1-22(2)13-7-14(21-11-20-13)23-6-4-16(25,9-23)8-18-15(24)12-3-5-17-10-19-12/h3,5,7,10-11,25H,4,6,8-9H2,1-2H3,(H,18,24)/t16-/m1/s1
InChIKeyBBXINPUWPWUWIC-MRXNPFEDSA-N
XLogP-0.30
TPSA107.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide 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-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 110124434
N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 110124435
N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide
CID 124957441
N-[[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 124971244
1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[[4-(3-hydroxypropoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 132778278
N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide
CID 124969188
3-[[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]methyl]-1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 132779318
1-[6-(dimethylamino)pyrimidin-4-yl]-3-methyl-N-propan-2-ylpiperidine-3-carboxamide
CID 110100201
N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 124964330
N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide
CID 124991567
N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide
CID 110111092
(3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide
CID 124989326

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide (CID 124943360) is N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide is CN(C)c1cc(N2CC[C@@](O)(CNC(=O)c3ccncn3)C2)ncn1.
What is the InChIKey of N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide?
The InChIKey is BBXINPUWPWUWIC-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N7O2/c1-22(2)13-7-14(21-11-20-13)23-6-4-16(25,9-23)8-18-15(24)12-3-5-17-10-19-12/h3,5,7,10-11,25H,4,6,8-9H2,1-2H3,(H,18,24)/t16-/m1/s1.
What are the key properties of N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide?
N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide has a molecular weight of 343.39 g/mol, XLogP of -0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 124943360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).