[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone

C19H32N4O — CID 72900082

IUPAC[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
SMILESCc1nc(CC(C)C)cc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)n1
InChIInChI=1S/C19H32N4O/c1-12(2)8-15-9-17(21-14(5)20-15)19(24)23-10-16(13(3)4)18(11-23)22(6)7/h9,12-13,16,18H,8,10-11H2,1-7H3/t16-,18+/m0/s1
InChIKeyNZVXQAZFMIAGGJ-FUHWJXTLSA-N
MW332.49 g/mol
LogP2.64
Rot. Bonds5

About [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone

[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone (PubChem CID 72900082) has the molecular formula C19H32N4O and a molecular weight of 332.49 g/mol. Its IUPAC name is [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone.

Molecular Properties

Compound Name[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
PubChem CID72900082
Molecular FormulaC19H32N4O
Molecular Weight332.49 g/mol
Exact Mass332.26
IUPAC Name[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone
SMILESCc1nc(CC(C)C)cc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)n1
InChIInChI=1S/C19H32N4O/c1-12(2)8-15-9-17(21-14(5)20-15)19(24)23-10-16(13(3)4)18(11-23)22(6)7/h9,12-13,16,18H,8,10-11H2,1-7H3/t16-,18+/m0/s1
InChIKeyNZVXQAZFMIAGGJ-FUHWJXTLSA-N
XLogP2.64
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.49
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

{(3R*,4R*)-4-{[[2-(dimethylamino)ethyl](methyl)amino]methyl}-1-[(2,6-dimethylpyrimidin-4-yl)carbonyl]pyrrolidin-3-yl}methanol
CID 70728326
{(3R*,4R*)-4-[(dimethylamino)methyl]-1-[(6-isobutyl-2-methylpyrimidin-4-yl)carbonyl]pyrrolidin-3-yl}methanol
CID 70734720
N-[2-(diethylamino)ethyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830556
6-propan-2-yl-N-propyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 71830568
2-piperidin-1-yl-6-propan-2-yl-N-propylpyrimidine-4-carboxamide
CID 71830697
N-[3-(dimethylamino)propyl]-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91945484
N-(3-methoxypropyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91945493
N-(2-methoxyethyl)-6-propan-2-yl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 91945499
6-(1-acetyl-4-methylpiperidin-4-yl)-N-(2,2-dimethylpropyl)-2-methylpyrimidine-4-carboxamide
CID 118739941
6-(1-acetyl-4-methylpiperidin-4-yl)-N,N-diethyl-2-methylpyrimidine-4-carboxamide
CID 118739942
6-(1-acetyl-4-methylpiperidin-4-yl)-N-(cyclopropylmethyl)-2-methylpyrimidine-4-carboxamide
CID 118739962
2-Methyl-4-[1-(4-methylpentanoyl)-3-piperidinyl]-6-(1-pyrrolidinyl)pyrimidine
CID 70712220

Frequently Asked Questions

What is the IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone?
The IUPAC name of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone (CID 72900082) is [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone.
What is the SMILES notation for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone?
The canonical SMILES for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone is Cc1nc(CC(C)C)cc(C(=O)N2C[C@@H](N(C)C)[C@H](C(C)C)C2)n1.
What is the InChIKey of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone?
The InChIKey is NZVXQAZFMIAGGJ-FUHWJXTLSA-N. The full InChI is InChI=1S/C19H32N4O/c1-12(2)8-15-9-17(21-14(5)20-15)19(24)23-10-16(13(3)4)18(11-23)22(6)7/h9,12-13,16,18H,8,10-11H2,1-7H3/t16-,18+/m0/s1.
What are the key properties of [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone?
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone has a molecular weight of 332.49 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-[2-methyl-6-(2-methylpropyl)pyrimidin-4-yl]methanone is sourced from PubChem (CID 72900082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).