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

C13H19N7S — CID 19138400

IUPAC6-(4-ethylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
SMILESCCN1CCN(c2ncnc(Nc3nccs3)c2N)CC1
InChIInChI=1S/C13H19N7S/c1-2-19-4-6-20(7-5-19)12-10(14)11(16-9-17-12)18-13-15-3-8-21-13/h3,8-9H,2,4-7,14H2,1H3,(H,15,16,17,18)
InChIKeyQLNAWCPRSBEYGI-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.40
Rot. Bonds4

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

6-(4-ethylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine (PubChem CID 19138400) has the molecular formula C13H19N7S and a molecular weight of 305.41 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
PubChem CID19138400
Molecular FormulaC13H19N7S
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC Name6-(4-ethylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine
SMILESCCN1CCN(c2ncnc(Nc3nccs3)c2N)CC1
InChIInChI=1S/C13H19N7S/c1-2-19-4-6-20(7-5-19)12-10(14)11(16-9-17-12)18-13-15-3-8-21-13/h3,8-9H,2,4-7,14H2,1H3,(H,15,16,17,18)
InChIKeyQLNAWCPRSBEYGI-UHFFFAOYSA-N
XLogP1.40
TPSA83.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine (CID 19138400) is 6-(4-ethylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine is CCN1CCN(c2ncnc(Nc3nccs3)c2N)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine?
The InChIKey is QLNAWCPRSBEYGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7S/c1-2-19-4-6-20(7-5-19)12-10(14)11(16-9-17-12)18-13-15-3-8-21-13/h3,8-9H,2,4-7,14H2,1H3,(H,15,16,17,18).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine?
6-(4-ethylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine has a molecular weight of 305.41 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-4-N-(1,3-thiazol-2-yl)pyrimidine-4,5-diamine is sourced from PubChem (CID 19138400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).