[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone

C21H31N7O — CID 146113617

IUPAC[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCC(c3ncc[nH]3)CC2)nc(N2CC[C@@H](N(C)C)C2)c1C
InChIInChI=1S/C21H31N7O/c1-14-15(2)24-19(25-20(14)28-12-7-17(13-28)26(3)4)21(29)27-10-5-16(6-11-27)18-22-8-9-23-18/h8-9,16-17H,5-7,10-13H2,1-4H3,(H,22,23)/t17-/m1/s1
InChIKeyHHRFYHWEOLYZOZ-QGZVFWFLSA-N
MW397.53 g/mol
LogP1.98
Rot. Bonds4

About [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone

[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone (PubChem CID 146113617) has the molecular formula C21H31N7O and a molecular weight of 397.53 g/mol. Its IUPAC name is [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
PubChem CID146113617
Molecular FormulaC21H31N7O
Molecular Weight397.53 g/mol
Exact Mass397.26
IUPAC Name[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
SMILESCc1nc(C(=O)N2CCC(c3ncc[nH]3)CC2)nc(N2CC[C@@H](N(C)C)C2)c1C
InChIInChI=1S/C21H31N7O/c1-14-15(2)24-19(25-20(14)28-12-7-17(13-28)26(3)4)21(29)27-10-5-16(6-11-27)18-22-8-9-23-18/h8-9,16-17H,5-7,10-13H2,1-4H3,(H,22,23)/t17-/m1/s1
InChIKeyHHRFYHWEOLYZOZ-QGZVFWFLSA-N
XLogP1.98
TPSA81.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.53
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-imidazol-1-ylazetidin-1-yl)methanone
CID 146113755
[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-hydroxy-4-(methoxymethyl)piperidin-1-yl]methanone
CID 146110707
[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-ethyl-3-methylazetidin-1-yl)methanone
CID 146101339
[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[3-(oxan-4-yl)azetidin-1-yl]methanone
CID 146110864
6-[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carbonyl]-1-methyl-2,4,5,7-tetrahydropyrazolo[3,4-c]pyridin-3-one
CID 146110997
4-[(3R)-3-[[3-(1H-imidazol-2-yl)cyclobutyl]amino]pyrrolidin-1-yl]-N,5,6-trimethylpyrimidine-2-carboxamide
CID 154794900
[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone
CID 154799598
[4-(1H-imidazol-2-yl)piperidin-1-yl]-(4-methyl-1H-pyrrol-2-yl)methanone
CID 70749250
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146101421
N-(cyanomethyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 154879384
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-5,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2-carboxamide
CID 146101454
(5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 166214756

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone (CID 146113617) is [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone is Cc1nc(C(=O)N2CCC(c3ncc[nH]3)CC2)nc(N2CC[C@@H](N(C)C)C2)c1C.
What is the InChIKey of [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
The InChIKey is HHRFYHWEOLYZOZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H31N7O/c1-14-15(2)24-19(25-20(14)28-12-7-17(13-28)26(3)4)21(29)27-10-5-16(6-11-27)18-22-8-9-23-18/h8-9,16-17H,5-7,10-13H2,1-4H3,(H,22,23)/t17-/m1/s1.
What are the key properties of [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone?
[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone has a molecular weight of 397.53 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 146113617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).