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

C14H20N6S — CID 80757346

IUPACN-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCCNc1nccc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C14H20N6S/c1-2-4-15-13-16-5-3-12(18-13)19-7-9-20(10-8-19)14-17-6-11-21-14/h3,5-6,11H,2,4,7-10H2,1H3,(H,15,16,18)
InChIKeyHYNFWJRDCZXPRT-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.08
Rot. Bonds5

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

N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 80757346) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID80757346
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC NameN-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCCNc1nccc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C14H20N6S/c1-2-4-15-13-16-5-3-12(18-13)19-7-9-20(10-8-19)14-17-6-11-21-14/h3,5-6,11H,2,4,7-10H2,1H3,(H,15,16,18)
InChIKeyHYNFWJRDCZXPRT-UHFFFAOYSA-N
XLogP2.08
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-ethyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80754129
4-(4-benzylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 112881929
4-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-N-propylpyrimidin-2-amine
CID 80805920
N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80756500
4-(4-methoxypiperidin-1-yl)-N-propylpyrimidin-2-amine
CID 80784615
4-(4,4-dimethylazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80843521
2-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 154830384
2,2-dimethyl-N-propyl-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-amine
CID 62263028
N-pentyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898903
N-butyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112882993
4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882670
2-[4-(2-cyclopropylpyrimidin-4-yl)-1,4-diazepan-1-yl]-1,3-thiazole
CID 133298967

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine (CID 80757346) is N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine is CCCNc1nccc(N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is HYNFWJRDCZXPRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-2-4-15-13-16-5-3-12(18-13)19-7-9-20(10-8-19)14-17-6-11-21-14/h3,5-6,11H,2,4,7-10H2,1H3,(H,15,16,18).
What are the key properties of N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 304.42 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80757346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).