[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone

C15H23N5O — CID 133122270

IUPAC[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
SMILESCc1nc(N(C)C)ncc1C(=O)N1C[C@@H](N)[C@H](C2CC2)C1
InChIInChI=1S/C15H23N5O/c1-9-11(6-17-15(18-9)19(2)3)14(21)20-7-12(10-4-5-10)13(16)8-20/h6,10,12-13H,4-5,7-8,16H2,1-3H3/t12-,13+/m0/s1
InChIKeyATSQICGOJGBWFS-QWHCGFSZSA-N
MW289.38 g/mol
LogP0.66
Rot. Bonds3

About [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone

[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone (PubChem CID 133122270) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
PubChem CID133122270
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
SMILESCc1nc(N(C)C)ncc1C(=O)N1C[C@@H](N)[C@H](C2CC2)C1
InChIInChI=1S/C15H23N5O/c1-9-11(6-17-15(18-9)19(2)3)14(21)20-7-12(10-4-5-10)13(16)8-20/h6,10,12-13H,4-5,7-8,16H2,1-3H3/t12-,13+/m0/s1
InChIKeyATSQICGOJGBWFS-QWHCGFSZSA-N
XLogP0.66
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone with MolForge

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Related Compounds

(3S,4S)-4-cyclopropyl-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 74238233
azepan-1-yl-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 20959486
[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
CID 56878787
ethyl 4-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperazine-1-carboxylate
CID 72879162
(2R)-1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]azetidine-2-carboxylic acid
CID 97271863
[2-(dimethylamino)-4-methylpyrimidin-5-yl]-[4-(1-morpholin-4-ylethyl)piperidin-1-yl]methanone
CID 70732353
(3S,4S)-4-cyclopropyl-1-(4-methyl-2-piperidin-1-ylpyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 72869164
5-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]piperidin-4-yl]-4-ethyl-2-methyl-1,2,4-triazol-3-one
CID 56700544
(3aS,7aR)-2-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]-5-methyl-1,3,4,6,7,7a-hexahydropyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 72907773
[(3S)-4-(cyclopropylmethyl)-3-(2-hydroxyethyl)piperazin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone
CID 97192875
3-[1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]pyrrolidin-3-yl]-1-benzothiophene-2-carboxamide
CID 110089093
1-[2-(dimethylamino)-4-methylpyrimidine-5-carbonyl]-4-(3-fluorophenyl)pyrrolidine-3-carboxylic acid
CID 78086935

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone?
The IUPAC name of [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone (CID 133122270) is [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone.
What is the SMILES notation for [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone?
The canonical SMILES for [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone is Cc1nc(N(C)C)ncc1C(=O)N1C[C@@H](N)[C@H](C2CC2)C1.
What is the InChIKey of [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone?
The InChIKey is ATSQICGOJGBWFS-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H23N5O/c1-9-11(6-17-15(18-9)19(2)3)14(21)20-7-12(10-4-5-10)13(16)8-20/h6,10,12-13H,4-5,7-8,16H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone?
[(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone has a molecular weight of 289.38 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-amino-4-cyclopropylpyrrolidin-1-yl]-[2-(dimethylamino)-4-methylpyrimidin-5-yl]methanone is sourced from PubChem (CID 133122270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).