4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide

C18H27N7O — CID 146111740

IUPAC4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc(C)nn3C)C2)n1
InChIInChI=1S/C18H27N7O/c1-11-8-15(24(5)23-11)9-20-14-6-7-25(10-14)17-12(2)13(3)21-16(22-17)18(26)19-4/h8,14,20H,6-7,9-10H2,1-5H3,(H,19,26)/t14-/m1/s1
InChIKeyAIJFBWVRYVYXQN-CQSZACIVSA-N
MW357.46 g/mol
LogP0.86
Rot. Bonds5

About 4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide

4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide (PubChem CID 146111740) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is 4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
PubChem CID146111740
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC Name4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc(C)nn3C)C2)n1
InChIInChI=1S/C18H27N7O/c1-11-8-15(24(5)23-11)9-20-14-6-7-25(10-14)17-12(2)13(3)21-16(22-17)18(26)19-4/h8,14,20H,6-7,9-10H2,1-5H3,(H,19,26)/t14-/m1/s1
InChIKeyAIJFBWVRYVYXQN-CQSZACIVSA-N
XLogP0.86
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3R)-3-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111707
4-[(3R)-3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111838
4-[(3R)-3-[(3-methoxy-6-methyl-2-pyridinyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112401
N,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 154802881
N,4,5-trimethyl-6-[(3R)-3-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146111830
4-[(3R)-3-(furo[2,3-b]pyridin-2-ylmethylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146153740
4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111783
4-[(3R)-3-(4-hydroxybutan-2-ylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112279
4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146153787
N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 167882192
4-[(3R)-3-(1,4-dioxepan-6-ylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112414
4-[(3R)-3-[[3-(methoxymethyl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112261

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide (CID 146111740) is 4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide is CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NCc3cc(C)nn3C)C2)n1.
What is the InChIKey of 4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The InChIKey is AIJFBWVRYVYXQN-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27N7O/c1-11-8-15(24(5)23-11)9-20-14-6-7-25(10-14)17-12(2)13(3)21-16(22-17)18(26)19-4/h8,14,20H,6-7,9-10H2,1-5H3,(H,19,26)/t14-/m1/s1.
What are the key properties of 4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 146111740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).