4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine

C9H14ClN5 — CID 1085197

IUPAC4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
SMILESCN1CCN(c2ncnc(Cl)c2N)CC1
InChIInChI=1S/C9H14ClN5/c1-14-2-4-15(5-3-14)9-7(11)8(10)12-6-13-9/h6H,2-5,11H2,1H3
InChIKeyYFUZRBRRNUSCQO-UHFFFAOYSA-N
MW227.70 g/mol
LogP0.46
Rot. Bonds1

About 4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine

4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine (PubChem CID 1085197) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
PubChem CID1085197
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine
SMILESCN1CCN(c2ncnc(Cl)c2N)CC1
InChIInChI=1S/C9H14ClN5/c1-14-2-4-15(5-3-14)9-7(11)8(10)12-6-13-9/h6H,2-5,11H2,1H3
InChIKeyYFUZRBRRNUSCQO-UHFFFAOYSA-N
XLogP0.46
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine (CID 1085197) is 4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine is CN1CCN(c2ncnc(Cl)c2N)CC1.
What is the InChIKey of 4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
The InChIKey is YFUZRBRRNUSCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5/c1-14-2-4-15(5-3-14)9-7(11)8(10)12-6-13-9/h6H,2-5,11H2,1H3.
What are the key properties of 4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine?
4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine has a molecular weight of 227.70 g/mol, XLogP of 0.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 1085197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).