[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone

C14H20N4O2 — CID 47340436

IUPAC[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCOc1ccnc(N2CCN(C(=O)C3CC3C)CC2)n1
InChIInChI=1S/C14H20N4O2/c1-10-9-11(10)13(19)17-5-7-18(8-6-17)14-15-4-3-12(16-14)20-2/h3-4,10-11H,5-9H2,1-2H3
InChIKeyQWCBUYYSXCWDPY-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.79
Rot. Bonds3

About [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone

[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone (PubChem CID 47340436) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone.

Molecular Properties

Compound Name[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
PubChem CID47340436
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
SMILESCOc1ccnc(N2CCN(C(=O)C3CC3C)CC2)n1
InChIInChI=1S/C14H20N4O2/c1-10-9-11(10)13(19)17-5-7-18(8-6-17)14-15-4-3-12(16-14)20-2/h3-4,10-11H,5-9H2,1-2H3
InChIKeyQWCBUYYSXCWDPY-UHFFFAOYSA-N
XLogP0.79
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2R)-2-phenylcyclopropyl]methanone
CID 95145272
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590798
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 56821659
[(1R,2R)-2-methylcyclopropyl]-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]methanone
CID 95321382
2,5-dihydro-1H-pyrrol-2-yl-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 154910700
cyclohex-3-en-1-yl-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 56814584
1-[(3R)-3-[4-(4-methoxypyrimidin-2-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 95579755
1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]ethanone
CID 94447840
2,3-dihydro-1-benzofuran-2-yl-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]methanone
CID 56799030
1-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 133282780
(2S)-2-methoxy-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95589754
(3R)-3-cyclopropyl-1-[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]butan-1-one
CID 95159800

Frequently Asked Questions

What is the IUPAC name of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone?
The IUPAC name of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone (CID 47340436) is [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone.
What is the SMILES notation for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone?
The canonical SMILES for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone is COc1ccnc(N2CCN(C(=O)C3CC3C)CC2)n1.
What is the InChIKey of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone?
The InChIKey is QWCBUYYSXCWDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-10-9-11(10)13(19)17-5-7-18(8-6-17)14-15-4-3-12(16-14)20-2/h3-4,10-11H,5-9H2,1-2H3.
What are the key properties of [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone?
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone has a molecular weight of 276.34 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone is sourced from PubChem (CID 47340436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).