4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine

C18H21ClN4 — CID 133388381

IUPAC4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(Cl)nc(C3CC3)n2)C(c2ccccc2)C1
InChIInChI=1S/C18H21ClN4/c1-22-9-10-23(15(12-22)13-5-3-2-4-6-13)17-11-16(19)20-18(21-17)14-7-8-14/h2-6,11,14-15H,7-10,12H2,1H3
InChIKeyYRFXMPIRJWBBOO-UHFFFAOYSA-N
MW328.85 g/mol
LogP3.50
Rot. Bonds3

About 4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine

4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine (PubChem CID 133388381) has the molecular formula C18H21ClN4 and a molecular weight of 328.85 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine
PubChem CID133388381
Molecular FormulaC18H21ClN4
Molecular Weight328.85 g/mol
Exact Mass328.15
IUPAC Name4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine
SMILESCN1CCN(c2cc(Cl)nc(C3CC3)n2)C(c2ccccc2)C1
InChIInChI=1S/C18H21ClN4/c1-22-9-10-23(15(12-22)13-5-3-2-4-6-13)17-11-16(19)20-18(21-17)14-7-8-14/h2-6,11,14-15H,7-10,12H2,1H3
InChIKeyYRFXMPIRJWBBOO-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.85
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(chloromethyl)-6-(4-methyl-2-phenylpiperazin-1-yl)pyrazine
CID 66466632
1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-6-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 133421150
3-(6-chloro-2-cyclopropylpyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 80947338
6-(4-methyl-2-phenylpiperazin-1-yl)pyridine-2-carbonitrile
CID 64589848
2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine
CID 79639316
1-[2-(chloromethyl)-4-pyridinyl]-4-methyl-2-phenylpiperazine
CID 61257188
methyl 1-(6-chloro-2-cyclopropylpyrimidin-4-yl)-5-phenylpiperidine-3-carboxylate
CID 133421842
4-chloro-2-cyclopropyl-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]pyrimidine
CID 133432242
2-[1-(6-chloro-2-cyclopropylpyrimidin-4-yl)azetidin-3-yl]-1-methylbenzimidazole
CID 89493659
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine
CID 80949359
6-(4-methyl-2-phenylpiperazin-1-yl)tetrazolo[1,5-b]pyridazine
CID 17449591
1-[3-(chloromethyl)-2-pyridinyl]-4-methyl-2-phenylpiperazine
CID 61257187

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine (CID 133388381) is 4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine is CN1CCN(c2cc(Cl)nc(C3CC3)n2)C(c2ccccc2)C1.
What is the InChIKey of 4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine?
The InChIKey is YRFXMPIRJWBBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4/c1-22-9-10-23(15(12-22)13-5-3-2-4-6-13)17-11-16(19)20-18(21-17)14-7-8-14/h2-6,11,14-15H,7-10,12H2,1H3.
What are the key properties of 4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine?
4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine has a molecular weight of 328.85 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-6-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine is sourced from PubChem (CID 133388381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).