2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine

C10H18N6 — CID 20729790

IUPAC2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(N2CCN(C)CC2)c(N)n1
InChIInChI=1S/C10H18N6/c1-7-13-9(11)8(10(12)14-7)16-5-3-15(2)4-6-16/h3-6H2,1-2H3,(H4,11,12,13,14)
InChIKeyXCVHRONXWFTTFS-UHFFFAOYSA-N
MW222.30 g/mol
LogP-0.30
Rot. Bonds1

About 2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine

2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine (PubChem CID 20729790) has the molecular formula C10H18N6 and a molecular weight of 222.30 g/mol. Its IUPAC name is 2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
PubChem CID20729790
Molecular FormulaC10H18N6
Molecular Weight222.30 g/mol
Exact Mass222.16
IUPAC Name2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
SMILESCc1nc(N)c(N2CCN(C)CC2)c(N)n1
InChIInChI=1S/C10H18N6/c1-7-13-9(11)8(10(12)14-7)16-5-3-15(2)4-6-16/h3-6H2,1-2H3,(H4,11,12,13,14)
InChIKeyXCVHRONXWFTTFS-UHFFFAOYSA-N
XLogP-0.30
TPSA84.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.30
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2,5-dimethyl-4-N-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine
CID 83027856
4-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25128833
4-chloro-5-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 25133967
2-methyl-5-(4-methylpiperazin-1-yl)-1,3-benzothiazol-6-amine
CID 43382954
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine
CID 15132532
1-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 62751339
4-(4-methylpiperazin-1-yl)-3-(2-methylpropyl)pyridin-2-amine
CID 67174390
4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;dihydrochloride
CID 22152276
3,4-dichloro-2-(4-methylpiperazin-1-yl)aniline
CID 141211045
6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine
CID 66741126
6-(3-ethyl-4-methylpiperazin-1-yl)-2,5-dimethylpyrimidin-4-amine
CID 80834206
2-[4-methyl-2-(4-methylpiperazin-1-yl)-1,3-thiazol-5-yl]ethanamine
CID 82129972

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine (CID 20729790) is 2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine is Cc1nc(N)c(N2CCN(C)CC2)c(N)n1.
What is the InChIKey of 2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine?
The InChIKey is XCVHRONXWFTTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6/c1-7-13-9(11)8(10(12)14-7)16-5-3-15(2)4-6-16/h3-6H2,1-2H3,(H4,11,12,13,14).
What are the key properties of 2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine?
2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine has a molecular weight of 222.30 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-methylpiperazin-1-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 20729790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).