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

C19H27N7O — CID 146113755

IUPAC[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-imidazol-1-ylazetidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CC(n3ccnc3)C2)nc(N2CC[C@@H](N(C)C)C2)c1C
InChIInChI=1S/C19H27N7O/c1-13-14(2)21-17(22-18(13)24-7-5-15(9-24)23(3)4)19(27)26-10-16(11-26)25-8-6-20-12-25/h6,8,12,15-16H,5,7,9-11H2,1-4H3/t15-/m1/s1
InChIKeyHBZWNEDDUHGRHZ-OAHLLOKOSA-N
MW369.47 g/mol
LogP1.13
Rot. Bonds4

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

[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-imidazol-1-ylazetidin-1-yl)methanone (PubChem CID 146113755) has the molecular formula C19H27N7O and a molecular weight of 369.47 g/mol. Its IUPAC name is [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-imidazol-1-ylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-imidazol-1-ylazetidin-1-yl)methanone
PubChem CID146113755
Molecular FormulaC19H27N7O
Molecular Weight369.47 g/mol
Exact Mass369.23
IUPAC Name[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-imidazol-1-ylazetidin-1-yl)methanone
SMILESCc1nc(C(=O)N2CC(n3ccnc3)C2)nc(N2CC[C@@H](N(C)C)C2)c1C
InChIInChI=1S/C19H27N7O/c1-13-14(2)21-17(22-18(13)24-7-5-15(9-24)23(3)4)19(27)26-10-16(11-26)25-8-6-20-12-25/h6,8,12,15-16H,5,7,9-11H2,1-4H3/t15-/m1/s1
InChIKeyHBZWNEDDUHGRHZ-OAHLLOKOSA-N
XLogP1.13
TPSA70.39 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-[3-(oxan-4-yl)azetidin-1-yl]methanone
CID 146110864
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(2-imidazol-1-ylethyl)-N,5,6-trimethylpyrimidine-2-carboxamide
CID 146101421
[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]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 146113617
[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]-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)methanone
CID 154799598
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-ethyl-5,6-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2-carboxamide
CID 146101454
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
N-(cyanomethyl)-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 154879384
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]pyrimidine-2-carboxamide
CID 146110062
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N,5,6-trimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]pyrimidine-2-carboxamide
CID 167928915
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide
CID 146110824

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-imidazol-1-ylazetidin-1-yl)methanone?
The IUPAC name of [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-imidazol-1-ylazetidin-1-yl)methanone (CID 146113755) is [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-imidazol-1-ylazetidin-1-yl)methanone.
What is the SMILES notation for [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-imidazol-1-ylazetidin-1-yl)methanone?
The canonical SMILES for [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-imidazol-1-ylazetidin-1-yl)methanone is Cc1nc(C(=O)N2CC(n3ccnc3)C2)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]-(3-imidazol-1-ylazetidin-1-yl)methanone?
The InChIKey is HBZWNEDDUHGRHZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H27N7O/c1-13-14(2)21-17(22-18(13)24-7-5-15(9-24)23(3)4)19(27)26-10-16(11-26)25-8-6-20-12-25/h6,8,12,15-16H,5,7,9-11H2,1-4H3/t15-/m1/s1.
What are the key properties of [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-imidazol-1-ylazetidin-1-yl)methanone?
[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-imidazol-1-ylazetidin-1-yl)methanone has a molecular weight of 369.47 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-imidazol-1-ylazetidin-1-yl)methanone is sourced from PubChem (CID 146113755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).