N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine

C13H18N6S — CID 80754129

IUPACN-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1nccc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C13H18N6S/c1-2-14-12-15-4-3-11(17-12)18-6-8-19(9-7-18)13-16-5-10-20-13/h3-5,10H,2,6-9H2,1H3,(H,14,15,17)
InChIKeyICDXQJMOHQTVSL-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.69
Rot. Bonds4

About N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine

N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 80754129) has the molecular formula C13H18N6S and a molecular weight of 290.40 g/mol. Its IUPAC name is N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID80754129
Molecular FormulaC13H18N6S
Molecular Weight290.40 g/mol
Exact Mass290.13
IUPAC NameN-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1nccc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C13H18N6S/c1-2-14-12-15-4-3-11(17-12)18-6-8-19(9-7-18)13-16-5-10-20-13/h3-5,10H,2,6-9H2,1H3,(H,14,15,17)
InChIKeyICDXQJMOHQTVSL-UHFFFAOYSA-N
XLogP1.69
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80757346
N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80756500
4-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]-N-ethylpyrimidin-2-amine
CID 166601436
2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 154830384
N-ethyl-4-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155801027
2-[4-[2-(ethylamino)pyrimidin-4-yl]piperazin-1-yl]cyclohexan-1-ol
CID 163351033
N-ethyl-4-[4-[(2-phenyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 163346622
N-ethyl-4-(4-propan-2-ylazepan-1-yl)pyrimidin-2-amine
CID 80836906
N-ethyl-4-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyrimidin-2-amine
CID 80814491
4-(3,3-diethylpyrrolidin-1-yl)-N-ethylpyrimidin-2-amine
CID 80854955
4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882670
4-[2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
CID 80764577

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine (CID 80754129) is N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine is CCNc1nccc(N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is ICDXQJMOHQTVSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6S/c1-2-14-12-15-4-3-11(17-12)18-6-8-19(9-7-18)13-16-5-10-20-13/h3-5,10H,2,6-9H2,1H3,(H,14,15,17).
What are the key properties of N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 290.40 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80754129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).