[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone

C14H19ClN4O2 — CID 97324806

IUPAC[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
SMILESCOc1ncc(Cl)c(N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)n1
InChIInChI=1S/C14H19ClN4O2/c1-9-7-10(9)13(20)19-5-3-18(4-6-19)12-11(15)8-16-14(17-12)21-2/h8-10H,3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyYBCIZZXURUCSPL-UWVGGRQHSA-N
MW310.79 g/mol
LogP1.44
Rot. Bonds3

About [4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone

[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone (PubChem CID 97324806) has the molecular formula C14H19ClN4O2 and a molecular weight of 310.79 g/mol. Its IUPAC name is [4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone.

Molecular Properties

Compound Name[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
PubChem CID97324806
Molecular FormulaC14H19ClN4O2
Molecular Weight310.79 g/mol
Exact Mass310.12
IUPAC Name[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone
SMILESCOc1ncc(Cl)c(N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)n1
InChIInChI=1S/C14H19ClN4O2/c1-9-7-10(9)13(20)19-5-3-18(4-6-19)12-11(15)8-16-14(17-12)21-2/h8-10H,3-7H2,1-2H3/t9-,10-/m0/s1
InChIKeyYBCIZZXURUCSPL-UWVGGRQHSA-N
XLogP1.44
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone with MolForge

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Related Compounds

1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 80758601
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol
CID 80711574
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxamide
CID 133366062
1-(5-chloro-2-methoxypyrimidin-4-yl)-2-methylpyrrolidine-3-carboxylic acid
CID 80758705
3-[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 80758415
[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
CID 80710491
[4-(4-methoxypyrimidin-2-yl)piperazin-1-yl]-(2-methylcyclopropyl)methanone
CID 47340436
1-(5-chloro-2-methoxypyrimidin-4-yl)-4-methylazepan-4-ol
CID 107407533
2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 80753257
2-(5-chloro-2-methoxypyrimidin-4-yl)-1,3-dihydroisoindole-5-carboxylic acid
CID 103997491
4-(4-but-3-ynylpiperazin-1-yl)-5-chloro-2-methoxypyrimidine
CID 133453611
4-(5-chloro-2-methoxypyrimidin-4-yl)-1-(cyclopentylmethyl)piperazin-2-one
CID 133390902

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone?
The IUPAC name of [4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone (CID 97324806) is [4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone.
What is the SMILES notation for [4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone?
The canonical SMILES for [4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone is COc1ncc(Cl)c(N2CCN(C(=O)[C@H]3C[C@@H]3C)CC2)n1.
What is the InChIKey of [4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone?
The InChIKey is YBCIZZXURUCSPL-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H19ClN4O2/c1-9-7-10(9)13(20)19-5-3-18(4-6-19)12-11(15)8-16-14(17-12)21-2/h8-10H,3-7H2,1-2H3/t9-,10-/m0/s1.
What are the key properties of [4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone?
[4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone has a molecular weight of 310.79 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-2-methoxypyrimidin-4-yl)piperazin-1-yl]-[(1S,2S)-2-methylcyclopropyl]methanone is sourced from PubChem (CID 97324806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).