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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Related Compounds

6-chloro-5-methyl-N-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 83022753
5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 172824528
4-chloro-N-(4-methylpiperazin-1-yl)-1,3-thiazol-2-amine
CID 83152797
3-methyl-N-(4-methylpiperazin-1-yl)pyrazin-2-amine
CID 83063787
5-chloro-4-[(4-methylpiperazin-1-yl)amino]-1H-pyridazin-6-one
CID 78913428
N-(4-methylpiperazin-1-yl)-1,2,4-benzotriazin-3-amine
CID 103204435
5-chloro-N-methylpyrimidin-2-amine;dihydrochloride
CID 175309566
2-N,2-N-dimethyl-4-N-(4-methylpiperazin-1-yl)-1,3,5-triazine-2,4,6-triamine
CID 83027620
N-(4-methylpiperazin-1-yl)-6-(5-methyl-3-pyridinyl)quinazolin-2-amine
CID 140543082
[4-[2-[(4-methylpiperazin-1-yl)amino]quinazolin-6-yl]phenyl]methanol
CID 140543179
4-methyl-N-(1,3-thiazol-2-ylmethyl)piperazin-1-amine
CID 66936261
3-N-(4-methylpiperazin-1-yl)-1H-1,2,4-triazole-3,5-diamine
CID 83024057

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).