N-[4-[(4-phenylpiperazin-1-yl)methyl]cyclohexyl]pyrimidin-2-amine

C21H29N5 — CID 10736673

IUPACN-[4-[(4-phenylpiperazin-1-yl)methyl]cyclohexyl]pyrimidin-2-amine
SMILESc1ccc(N2CCN(CC3CCC(Nc4ncccn4)CC3)CC2)cc1
InChIInChI=1S/C21H29N5/c1-2-5-20(6-3-1)26-15-13-25(14-16-26)17-18-7-9-19(10-8-18)24-21-22-11-4-12-23-21/h1-6,11-12,18-19H,7-10,13-17H2,(H,22,23,24)
InChIKeyWQFGYARLKCXPCQ-UHFFFAOYSA-N
MW351.50 g/mol
LogP3.27
Rot. Bonds5

About N-[4-[(4-phenylpiperazin-1-yl)methyl]cyclohexyl]pyrimidin-2-amine

N-[4-[(4-phenylpiperazin-1-yl)methyl]cyclohexyl]pyrimidin-2-amine (PubChem CID 10736673) has the molecular formula C21H29N5 and a molecular weight of 351.50 g/mol. Its IUPAC name is N-[4-[(4-phenylpiperazin-1-yl)methyl]cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[(4-phenylpiperazin-1-yl)methyl]cyclohexyl]pyrimidin-2-amine
PubChem CID10736673
Molecular FormulaC21H29N5
Molecular Weight351.50 g/mol
Exact Mass351.24
IUPAC NameN-[4-[(4-phenylpiperazin-1-yl)methyl]cyclohexyl]pyrimidin-2-amine
SMILESc1ccc(N2CCN(CC3CCC(Nc4ncccn4)CC3)CC2)cc1
InChIInChI=1S/C21H29N5/c1-2-5-20(6-3-1)26-15-13-25(14-16-26)17-18-7-9-19(10-8-18)24-21-22-11-4-12-23-21/h1-6,11-12,18-19H,7-10,13-17H2,(H,22,23,24)
InChIKeyWQFGYARLKCXPCQ-UHFFFAOYSA-N
XLogP3.27
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-phenylpiperazin-1-yl)methyl]cyclohexyl]pyrimidin-2-amine?
The IUPAC name of N-[4-[(4-phenylpiperazin-1-yl)methyl]cyclohexyl]pyrimidin-2-amine (CID 10736673) is N-[4-[(4-phenylpiperazin-1-yl)methyl]cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for N-[4-[(4-phenylpiperazin-1-yl)methyl]cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for N-[4-[(4-phenylpiperazin-1-yl)methyl]cyclohexyl]pyrimidin-2-amine is c1ccc(N2CCN(CC3CCC(Nc4ncccn4)CC3)CC2)cc1.
What is the InChIKey of N-[4-[(4-phenylpiperazin-1-yl)methyl]cyclohexyl]pyrimidin-2-amine?
The InChIKey is WQFGYARLKCXPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5/c1-2-5-20(6-3-1)26-15-13-25(14-16-26)17-18-7-9-19(10-8-18)24-21-22-11-4-12-23-21/h1-6,11-12,18-19H,7-10,13-17H2,(H,22,23,24).
What are the key properties of N-[4-[(4-phenylpiperazin-1-yl)methyl]cyclohexyl]pyrimidin-2-amine?
N-[4-[(4-phenylpiperazin-1-yl)methyl]cyclohexyl]pyrimidin-2-amine has a molecular weight of 351.50 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-phenylpiperazin-1-yl)methyl]cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 10736673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).