5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C9H14ClN5 — CID 83025864

IUPAC5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(Nc2ncc(Cl)cn2)CC1
InChIInChI=1S/C9H14ClN5/c1-14-2-4-15(5-3-14)13-9-11-6-8(10)7-12-9/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyYXWQJBRAEYXWME-UHFFFAOYSA-N
MW227.70 g/mol
LogP0.70
Rot. Bonds2

About 5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine

5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 83025864) has the molecular formula C9H14ClN5 and a molecular weight of 227.70 g/mol. Its IUPAC name is 5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID83025864
Molecular FormulaC9H14ClN5
Molecular Weight227.70 g/mol
Exact Mass227.09
IUPAC Name5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(Nc2ncc(Cl)cn2)CC1
InChIInChI=1S/C9H14ClN5/c1-14-2-4-15(5-3-14)13-9-11-6-8(10)7-12-9/h6-7H,2-5H2,1H3,(H,11,12,13)
InChIKeyYXWQJBRAEYXWME-UHFFFAOYSA-N
XLogP0.70
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 83025864) is 5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(Nc2ncc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is YXWQJBRAEYXWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5/c1-14-2-4-15(5-3-14)13-9-11-6-8(10)7-12-9/h6-7H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 227.70 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 83025864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).