4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C28H46N10 — CID 159078071

IUPAC4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1.CN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1
InChIInChI=1S/2C14H23N5/c2*1-18-6-8-19(9-7-18)13-10-12(16-14(15)17-13)11-4-2-3-5-11/h2*10-11H,2-9H2,1H3,(H2,15,16,17)
InChIKeyKAMRVWYVDJHJAL-UHFFFAOYSA-N
MW522.75 g/mol
LogP2.94
Rot. Bonds4

About 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 159078071) has the molecular formula C28H46N10 and a molecular weight of 522.75 g/mol. Its IUPAC name is 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID159078071
Molecular FormulaC28H46N10
Molecular Weight522.75 g/mol
Exact Mass522.39
IUPAC Name4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1.CN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1
InChIInChI=1S/2C14H23N5/c2*1-18-6-8-19(9-7-18)13-10-12(16-14(15)17-13)11-4-2-3-5-11/h2*10-11H,2-9H2,1H3,(H2,15,16,17)
InChIKeyKAMRVWYVDJHJAL-UHFFFAOYSA-N
XLogP2.94
TPSA116.56 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.75
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 159078071) is 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1.CN1CCN(c2cc(C3CCCC3)nc(N)n2)CC1.
What is the InChIKey of 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is KAMRVWYVDJHJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C14H23N5/c2*1-18-6-8-19(9-7-18)13-10-12(16-14(15)17-13)11-4-2-3-5-11/h2*10-11H,2-9H2,1H3,(H2,15,16,17).
What are the key properties of 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 522.75 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 159078071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).