(2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C17H20N6O — CID 74235155

IUPAC(2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(C2CC2)ncc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20N6O/c1-12-14(11-20-15(21-12)13-3-4-13)16(24)22-7-9-23(10-8-22)17-18-5-2-6-19-17/h2,5-6,11,13H,3-4,7-10H2,1H3
InChIKeyQDZHXBFFZDFCHB-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.41
Rot. Bonds3

About (2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

(2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 74235155) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is (2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID74235155
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name(2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCc1nc(C2CC2)ncc1C(=O)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C17H20N6O/c1-12-14(11-20-15(21-12)13-3-4-13)16(24)22-7-9-23(10-8-22)17-18-5-2-6-19-17/h2,5-6,11,13H,3-4,7-10H2,1H3
InChIKeyQDZHXBFFZDFCHB-UHFFFAOYSA-N
XLogP1.41
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(4-benzylpiperazin-1-yl)-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
CID 100752948
[(2S,6R)-4-azatricyclo[5.2.2.02,6]undecan-4-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
CID 56878787
(2-cyclopropyl-4-methylpyrimidin-5-yl)-[4-(1-hydroxy-2-phenylethyl)piperidin-1-yl]methanone
CID 70736964
(2-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 896524
1-[4-[4-methyl-5-(morpholine-4-carbonyl)pyrimidin-2-yl]piperidin-1-yl]-2-pyridin-2-ylethanone
CID 92636040
[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(3-pyridin-2-ylazetidin-1-yl)methanone
CID 56901001
(2,5-dimethylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 2110630
(2-hydroxy-3-methylphenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 43824625
[4-methyl-2-[1-(4-methyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]pyrimidin-5-yl]-morpholin-4-ylmethanone
CID 92636049
4-methyl-1-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carbonyl]-1,4-diazepan-5-one
CID 74232399
[(4aS,8aS)-4a-hydroxy-7-propan-2-yl-3,4,5,6,8,8a-hexahydro-1H-2,7-naphthyridin-2-yl]-(2-cyclopropyl-4-methylpyrimidin-5-yl)methanone
CID 72864267
[6-(cyclopentylamino)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109152191

Frequently Asked Questions

What is the IUPAC name of (2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 74235155) is (2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is Cc1nc(C2CC2)ncc1C(=O)N1CCN(c2ncccn2)CC1.
What is the InChIKey of (2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is QDZHXBFFZDFCHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-14(11-20-15(21-12)13-3-4-13)16(24)22-7-9-23(10-8-22)17-18-5-2-6-19-17/h2,5-6,11,13H,3-4,7-10H2,1H3.
What are the key properties of (2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
(2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 324.39 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopropyl-4-methylpyrimidin-5-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 74235155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).