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

C19H31N5O — CID 146101339

IUPAC[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-ethyl-3-methylazetidin-1-yl)methanone
SMILESCCC1(C)CN(C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)C1
InChIInChI=1S/C19H31N5O/c1-7-19(4)11-24(12-19)18(25)16-20-14(3)13(2)17(21-16)23-9-8-15(10-23)22(5)6/h15H,7-12H2,1-6H3/t15-/m1/s1
InChIKeyFDWBXCCAOFAXSW-OAHLLOKOSA-N
MW345.49 g/mol
LogP2.11
Rot. Bonds4

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

[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-ethyl-3-methylazetidin-1-yl)methanone (PubChem CID 146101339) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-ethyl-3-methylazetidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-ethyl-3-methylazetidin-1-yl)methanone
PubChem CID146101339
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-ethyl-3-methylazetidin-1-yl)methanone
SMILESCCC1(C)CN(C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)C1
InChIInChI=1S/C19H31N5O/c1-7-19(4)11-24(12-19)18(25)16-20-14(3)13(2)17(21-16)23-9-8-15(10-23)22(5)6/h15H,7-12H2,1-6H3/t15-/m1/s1
InChIKeyFDWBXCCAOFAXSW-OAHLLOKOSA-N
XLogP2.11
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[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]-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-(oxan-4-yl)azetidin-1-yl]methanone
CID 146110864
[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-imidazol-1-ylazetidin-1-yl)methanone
CID 146113755
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-dimethylpyrimidin-2-yl]-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 146113617
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[2-(1-hydroxycyclobutyl)ethyl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146110871
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-(3-ethoxycyclobutyl)-5,6-dimethylpyrimidine-2-carboxamide
CID 146110824
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-(dimethylamino)pyrrolidin-1-yl]-N-[[1-(1-hydroxycyclobutyl)cyclopropyl]methyl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146111054
4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-N-[4-(hydroxymethyl)oxan-4-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146110780
N-[2-(3,3-difluorocyclobutyl)ethyl]-4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidine-2-carboxamide
CID 146110937

Frequently Asked Questions

What is the IUPAC name of [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-ethyl-3-methylazetidin-1-yl)methanone?
The IUPAC name of [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-ethyl-3-methylazetidin-1-yl)methanone (CID 146101339) is [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-ethyl-3-methylazetidin-1-yl)methanone.
What is the SMILES notation for [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-ethyl-3-methylazetidin-1-yl)methanone?
The canonical SMILES for [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-ethyl-3-methylazetidin-1-yl)methanone is CCC1(C)CN(C(=O)c2nc(C)c(C)c(N3CC[C@@H](N(C)C)C3)n2)C1.
What is the InChIKey of [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-ethyl-3-methylazetidin-1-yl)methanone?
The InChIKey is FDWBXCCAOFAXSW-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H31N5O/c1-7-19(4)11-24(12-19)18(25)16-20-14(3)13(2)17(21-16)23-9-8-15(10-23)22(5)6/h15H,7-12H2,1-6H3/t15-/m1/s1.
What are the key properties of [4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-ethyl-3-methylazetidin-1-yl)methanone?
[4-[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-5,6-dimethylpyrimidin-2-yl]-(3-ethyl-3-methylazetidin-1-yl)methanone has a molecular weight of 345.49 g/mol, XLogP of 2.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 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-ethyl-3-methylazetidin-1-yl)methanone is sourced from PubChem (CID 146101339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).