4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine

C23H31N5 — CID 56889035

IUPAC4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine
SMILESCc1ccccc1N1CCN(C2CCCN(c3cc(C4CC4)ncn3)C2)CC1
InChIInChI=1S/C23H31N5/c1-18-5-2-3-7-22(18)27-13-11-26(12-14-27)20-6-4-10-28(16-20)23-15-21(19-8-9-19)24-17-25-23/h2-3,5,7,15,17,19-20H,4,6,8-14,16H2,1H3
InChIKeyJTVMLIKEEYQPJC-UHFFFAOYSA-N
MW377.54 g/mol
LogP3.45
Rot. Bonds4

About 4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine

4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine (PubChem CID 56889035) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is 4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine
PubChem CID56889035
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC Name4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine
SMILESCc1ccccc1N1CCN(C2CCCN(c3cc(C4CC4)ncn3)C2)CC1
InChIInChI=1S/C23H31N5/c1-18-5-2-3-7-22(18)27-13-11-26(12-14-27)20-6-4-10-28(16-20)23-15-21(19-8-9-19)24-17-25-23/h2-3,5,7,15,17,19-20H,4,6,8-14,16H2,1H3
InChIKeyJTVMLIKEEYQPJC-UHFFFAOYSA-N
XLogP3.45
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylphenyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 79930347
(8aR)-2-[6-[(8aS)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]pyrimidin-4-yl]-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 129429947
4-cyclopropyl-6-[3-(methylsulfanylmethyl)piperidin-1-yl]pyrimidine
CID 72839959
4-cyclobutyl-6-(3-fluoropiperidin-1-yl)pyrimidine
CID 172880704
[6-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyrimidin-4-yl]hydrazine
CID 80929365
3-[6-[4-(2,3-dimethylphenyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-ol
CID 91788147
[(3R)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 42532864
2-cyclopropyl-N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylpyrimidin-4-amine
CID 172901438
4-methyl-6-[4-(1-methylpiperidin-3-yl)piperazin-1-yl]pyrimidine
CID 133315643
(5-methyl-1,2-oxazol-3-yl)-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 45221624
(3-bromophenyl)-[(3S)-3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]methanone
CID 92986000
1-(6-cyclopropylpyrimidin-4-yl)-N,N-dimethylazepan-4-amine
CID 72932666

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine?
The IUPAC name of 4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine (CID 56889035) is 4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine?
The canonical SMILES for 4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine is Cc1ccccc1N1CCN(C2CCCN(c3cc(C4CC4)ncn3)C2)CC1.
What is the InChIKey of 4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine?
The InChIKey is JTVMLIKEEYQPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5/c1-18-5-2-3-7-22(18)27-13-11-26(12-14-27)20-6-4-10-28(16-20)23-15-21(19-8-9-19)24-17-25-23/h2-3,5,7,15,17,19-20H,4,6,8-14,16H2,1H3.
What are the key properties of 4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine?
4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine has a molecular weight of 377.54 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-[3-[4-(2-methylphenyl)piperazin-1-yl]piperidin-1-yl]pyrimidine is sourced from PubChem (CID 56889035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).