1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one

C20H23ClN4O — CID 75396545

IUPAC1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C20H23ClN4O/c21-17-14-18(23-20(22-17)16-7-8-16)24-10-12-25(13-11-24)19(26)9-6-15-4-2-1-3-5-15/h1-5,14,16H,6-13H2
InChIKeyFIMOELGJOZSOAR-UHFFFAOYSA-N
MW370.88 g/mol
LogP3.29
Rot. Bonds5

About 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one

1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 75396545) has the molecular formula C20H23ClN4O and a molecular weight of 370.88 g/mol. Its IUPAC name is 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID75396545
Molecular FormulaC20H23ClN4O
Molecular Weight370.88 g/mol
Exact Mass370.16
IUPAC Name1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2cc(Cl)nc(C3CC3)n2)CC1
InChIInChI=1S/C20H23ClN4O/c21-17-14-18(23-20(22-17)16-7-8-16)24-10-12-25(13-11-24)19(26)9-6-15-4-2-1-3-5-15/h1-5,14,16H,6-13H2
InChIKeyFIMOELGJOZSOAR-UHFFFAOYSA-N
XLogP3.29
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]acetamide
CID 133433117
[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-(4-ethylphenyl)methanone
CID 133418346
1-[4-(4-chlorophenyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 757895
3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060327
1-[4-(5-methyl-1,2-oxazol-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110645862
3-phenyl-1-[4-(5-phenyl-1H-pyrazol-3-yl)piperazin-1-yl]propan-1-one
CID 75527247
1,3-benzodioxol-5-yl-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 133433503
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712
1-[(3S)-3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 95829780
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
1-[4-(5-morpholin-4-ylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 91968837
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)thiomorpholine
CID 80948108

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one (CID 75396545) is 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one is O=C(CCc1ccccc1)N1CCN(c2cc(Cl)nc(C3CC3)n2)CC1.
What is the InChIKey of 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is FIMOELGJOZSOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O/c21-17-14-18(23-20(22-17)16-7-8-16)24-10-12-25(13-11-24)19(26)9-6-15-4-2-1-3-5-15/h1-5,14,16H,6-13H2.
What are the key properties of 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 370.88 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]-3-phenylpropan-1-one is sourced from PubChem (CID 75396545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).