(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone

C18H23N5O — CID 127245522

IUPAC(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone
SMILESCc1cc(C)nc(C2(C)CCCN2C(=O)c2cnc(C)nc2C)n1
InChIInChI=1S/C18H23N5O/c1-11-9-12(2)21-17(20-11)18(5)7-6-8-23(18)16(24)15-10-19-14(4)22-13(15)3/h9-10H,6-8H2,1-5H3
InChIKeyLUCXHZZXXGYZRW-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.65
Rot. Bonds2

About (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone

(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone (PubChem CID 127245522) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone
PubChem CID127245522
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone
SMILESCc1cc(C)nc(C2(C)CCCN2C(=O)c2cnc(C)nc2C)n1
InChIInChI=1S/C18H23N5O/c1-11-9-12(2)21-17(20-11)18(5)7-6-8-23(18)16(24)15-10-19-14(4)22-13(15)3/h9-10H,6-8H2,1-5H3
InChIKeyLUCXHZZXXGYZRW-UHFFFAOYSA-N
XLogP2.65
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

5H-Pyrrolo(3,4-d)pyrimidin-5-one, 6,7-dihydro-6-methyl-2-(1-piperidinyl)-
CID 3078701
N-{2-[(4,6-dimethylpyrimidin-2-yl)(methyl)amino]ethyl}-N-ethyl-3-pyrrolidin-1-ylpyrazine-2-carboxamide
CID 121427030
(1-Tert-butyl-5-ethylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 45830602
4-Methyl-2-(4-methylpiperazin-1-YL)-5-(piperidine-1-carbonyl)pyrimidine
CID 46345581
(1-Methyl-5-propylpyrazol-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 53514187
(4-Methylpyrimidin-5-yl)-(3-pyrazol-1-ylpiperidin-1-yl)methanone
CID 53561207
[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 53614236
2-Isopropyl-4-methyl-5-{[3-(1-pyrrolidinyl)-1-piperidinyl]carbonyl}pyrimidine
CID 56914409
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(4-ethyl-2-methylpyrimidin-5-yl)methanone
CID 72132735
[3-(3,5-Dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-(2-methyl-4-propan-2-ylpyrimidin-5-yl)methanone
CID 72134563
2-methyl-N-(2-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)-4-propan-2-ylpyrimidine-5-carboxamide
CID 72134602
2-methyl-4-propan-2-yl-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl)pyrimidine-5-carboxamide
CID 72134603

Frequently Asked Questions

What is the IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone (CID 127245522) is (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone is Cc1cc(C)nc(C2(C)CCCN2C(=O)c2cnc(C)nc2C)n1.
What is the InChIKey of (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is LUCXHZZXXGYZRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-11-9-12(2)21-17(20-11)18(5)7-6-8-23(18)16(24)15-10-19-14(4)22-13(15)3/h9-10H,6-8H2,1-5H3.
What are the key properties of (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone?
(2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 325.42 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dimethylpyrimidin-5-yl)-[2-(4,6-dimethylpyrimidin-2-yl)-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 127245522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).