4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide

C19H27N7O — CID 154794900

IUPAC4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC3CC(c4ncc[nH]4)C3)C2)n1
InChIInChI=1S/C19H27N7O/c1-11-12(2)23-17(19(27)20-3)25-18(11)26-7-4-14(10-26)24-15-8-13(9-15)16-21-5-6-22-16/h5-6,13-15,24H,4,7-10H2,1-3H3,(H,20,27)(H,21,22)/t13?,14-,15?/m1/s1
InChIKeySVALEPNHCPZNDW-SHARSMKWSA-N
MW369.47 g/mol
LogP1.29
Rot. Bonds5

About 4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide

4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide (PubChem CID 154794900) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is 4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
PubChem CID154794900
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
SMILESCNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC3CC(c4ncc[nH]4)C3)C2)n1
InChIInChI=1S/C19H27N7O/c1-11-12(2)23-17(19(27)20-3)25-18(11)26-7-4-14(10-26)24-15-8-13(9-15)16-21-5-6-22-16/h5-6,13-15,24H,4,7-10H2,1-3H3,(H,20,27)(H,21,22)/t13?,14-,15?/m1/s1
InChIKeySVALEPNHCPZNDW-SHARSMKWSA-N
XLogP1.29
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(3R)-3-[[3-(methoxymethyl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112261
4-[(3R)-3-[(3-ethoxycyclobutyl)amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112281
4-[(3R)-3-(1,4-dioxepan-6-ylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112414
N,4,5-trimethyl-6-[(3R)-3-(oxepan-4-ylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146112283
[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 146113617
4-[(3R)-3-(4-hydroxybutan-2-ylamino)pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146112279
N,4,5-trimethyl-6-[(3R)-3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146102398
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-(quinolin-8-ylmethylamino)pyrrolidin-1-yl]pyrimidine-2-carboxamide
CID 146111830
4-[(3R)-3-[(4-methoxyphenyl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111838
4-[(3R)-3-[1-(1,3-dimethylpyrazol-4-yl)ethylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146153787
4-[(3R)-3-[(3-cyclopropyl-1-methylpyrazol-5-yl)methylamino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146111707

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The IUPAC name of 4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide (CID 154794900) is 4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide.
What is the SMILES notation for 4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The canonical SMILES for 4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide is CNC(=O)c1nc(C)c(C)c(N2CC[C@@H](NC3CC(c4ncc[nH]4)C3)C2)n1.
What is the InChIKey of 4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
The InChIKey is SVALEPNHCPZNDW-SHARSMKWSA-N. The full InChI is InChI=1S/C19H27N7O/c1-11-12(2)23-17(19(27)20-3)25-18(11)26-7-4-14(10-26)24-15-8-13(9-15)16-21-5-6-22-16/h5-6,13-15,24H,4,7-10H2,1-3H3,(H,20,27)(H,21,22)/t13?,14-,15?/m1/s1.
What are the key properties of 4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide?
4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.29, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide is sourced from PubChem (CID 154794900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).