6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine

C12H17N7S — CID 19138221

IUPAC6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
SMILESCN1CCN(c2ncnc(Nc3nccs3)c2N)CC1
InChIInChI=1S/C12H17N7S/c1-18-3-5-19(6-4-18)11-9(13)10(15-8-16-11)17-12-14-2-7-20-12/h2,7-8H,3-6,13H2,1H3,(H,14,15,16,17)
InChIKeyOJOJYIVXDFQVFQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.01
Rot. Bonds3

About 6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine

6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine (PubChem CID 19138221) has the molecular formula C12H17N7S and a molecular weight of 291.38 g/mol. Its IUPAC name is 6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
PubChem CID19138221
Molecular FormulaC12H17N7S
Molecular Weight291.38 g/mol
Exact Mass291.13
IUPAC Name6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
SMILESCN1CCN(c2ncnc(Nc3nccs3)c2N)CC1
InChIInChI=1S/C12H17N7S/c1-18-3-5-19(6-4-18)11-9(13)10(15-8-16-11)17-12-14-2-7-20-12/h2,7-8H,3-6,13H2,1H3,(H,14,15,16,17)
InChIKeyOJOJYIVXDFQVFQ-UHFFFAOYSA-N
XLogP1.01
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine (CID 19138221) is 6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine is CN1CCN(c2ncnc(Nc3nccs3)c2N)CC1.
What is the InChIKey of 6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine?
The InChIKey is OJOJYIVXDFQVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7S/c1-18-3-5-19(6-4-18)11-9(13)10(15-8-16-11)17-12-14-2-7-20-12/h2,7-8H,3-6,13H2,1H3,(H,14,15,16,17).
What are the key properties of 6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine?
6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine has a molecular weight of 291.38 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19138221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).