N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C14H23N5 — CID 58227127

IUPACN-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccnc(NC3CCCC3)n2)CC1
InChIInChI=1S/C14H23N5/c1-18-8-10-19(11-9-18)13-6-7-15-14(17-13)16-12-4-2-3-5-12/h6-7,12H,2-5,8-11H2,1H3,(H,15,16,17)
InChIKeyYESREZYFRANQPJ-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.58
Rot. Bonds3

About N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine

N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 58227127) has the molecular formula C14H23N5 and a molecular weight of 261.37 g/mol. Its IUPAC name is N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID58227127
Molecular FormulaC14H23N5
Molecular Weight261.37 g/mol
Exact Mass261.20
IUPAC NameN-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2ccnc(NC3CCCC3)n2)CC1
InChIInChI=1S/C14H23N5/c1-18-8-10-19(11-9-18)13-6-7-15-14(17-13)16-12-4-2-3-5-12/h6-7,12H,2-5,8-11H2,1H3,(H,15,16,17)
InChIKeyYESREZYFRANQPJ-UHFFFAOYSA-N
XLogP1.58
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 58227127) is N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2ccnc(NC3CCCC3)n2)CC1.
What is the InChIKey of N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is YESREZYFRANQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5/c1-18-8-10-19(11-9-18)13-6-7-15-14(17-13)16-12-4-2-3-5-12/h6-7,12H,2-5,8-11H2,1H3,(H,15,16,17).
What are the key properties of N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 261.37 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 58227127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).