N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide

C18H27N7O — CID 167882192

IUPACN,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC(C)c3cncn3C)C2)n1
InChIInChI=1S/C18H27N7O/c1-11-12(2)22-16(18(26)19-4)23-17(11)25-7-6-14(9-25)21-13(3)15-8-20-10-24(15)5/h8,10,13-14,21H,6-7,9H2,1-5H3,(H,19,26)/t13?,14-/m1/s1
InChIKeyPQYIAPWFQJQWMQ-ARLHGKGLSA-N
MW357.46 g/mol
LogP1.12
Rot. Bonds5

About N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide

N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide (PubChem CID 167882192) has the molecular formula C18H27N7O and a molecular weight of 357.46 g/mol. Its IUPAC name is N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
PubChem CID167882192
Molecular FormulaC18H27N7O
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC NameN,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC(C)c3cncn3C)C2)n1
InChIInChI=1S/C18H27N7O/c1-11-12(2)22-16(18(26)19-4)23-17(11)25-7-6-14(9-25)21-13(3)15-8-20-10-24(15)5/h8,10,13-14,21H,6-7,9H2,1-5H3,(H,19,26)/t13?,14-/m1/s1
InChIKeyPQYIAPWFQJQWMQ-ARLHGKGLSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146153787
4-[(3R)-3-(4-hydroxybutan-2-ylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112279
4-[(3R)-3-[(2,5-dimethylpyrazol-3-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111740
N,4,5-trimethyl-6-[(3R)-3-[(1-propan-2-ylpyrazol-4-yl)methylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 154802881
4-[(3R)-3-(1,4-dioxepan-6-ylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112414
4-[(3R)-3-[1-(5-fluoro-3-pyridinyl)ethylamino]pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146111667
N,N,4,5-tetramethyl-6-[(3R)-3-[1-(4-methylpyrimidin-5-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 167840248
4-[(3R)-3-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111707
N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112283
4-[(3R)-3-[[3-(methoxymethyl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112261
4-[(3R)-3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111838
4-[(3R)-3-[[4-(dimethylamino)-3-pyridinyl]methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111783

Frequently Asked Questions

What is the IUPAC name of N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The IUPAC name of N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide (CID 167882192) is N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide.
What is the SMILES notation for N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The canonical SMILES for N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide is CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC(C)c3cncn3C)C2)n1.
What is the InChIKey of N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
The InChIKey is PQYIAPWFQJQWMQ-ARLHGKGLSA-N. The full InChI is InChI=1S/C18H27N7O/c1-11-12(2)22-16(18(26)19-4)23-17(11)25-7-6-14(9-25)21-13(3)15-8-20-10-24(15)5/h8,10,13-14,21H,6-7,9H2,1-5H3,(H,19,26)/t13?,14-/m1/s1.
What are the key properties of N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide?
N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,5-trimethyl-6-[(3R)-3-[1-(3-methylimidazol-4-yl)ethylamino]pyrrolidin-1-yl]pyrimidine-2-carboxamide is sourced from PubChem (CID 167882192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).