N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine

C14H20N6S — CID 80756500

IUPACN-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1nc(C)cc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C14H20N6S/c1-3-15-13-17-11(2)10-12(18-13)19-5-7-20(8-6-19)14-16-4-9-21-14/h4,9-10H,3,5-8H2,1-2H3,(H,15,17,18)
InChIKeyGZHWPORZRHCTTA-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.00
Rot. Bonds4

About N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine

N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine (PubChem CID 80756500) has the molecular formula C14H20N6S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
PubChem CID80756500
Molecular FormulaC14H20N6S
Molecular Weight304.42 g/mol
Exact Mass304.15
IUPAC NameN-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
SMILESCCNc1nc(C)cc(N2CCN(c3nccs3)CC2)n1
InChIInChI=1S/C14H20N6S/c1-3-15-13-17-11(2)10-12(18-13)19-5-7-20(8-6-19)14-16-4-9-21-14/h4,9-10H,3,5-8H2,1-2H3,(H,15,17,18)
InChIKeyGZHWPORZRHCTTA-UHFFFAOYSA-N
XLogP2.00
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.00
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
2-[4-(2-ethyl-6-methylpyrimidin-4-yl)piperazin-1-yl]-1,3-thiazole
CID 100758945
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 80764293
4-methyl-6-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]pyrimidin-2-amine
CID 47419492
N-propyl-4-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine
CID 80757346
N-ethyl-4-methyl-6-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]pyrimidin-2-amine
CID 146079790
1-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperidin-4-ol
CID 80764678
N-ethyl-4-methyl-6-[4-(3-methylsulfonyl-2-pyridinyl)piperazin-1-yl]pyrimidin-2-amine
CID 155976090
N-ethyl-4-methyl-6-(4-propylsulfonylpiperazin-1-yl)pyrimidin-2-amine
CID 50947737
1-[2-(ethylamino)-6-methylpyrimidin-4-yl]pyrrolidine-3,4-diol
CID 106674413
[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 122351016
3-[4-[2-(ethylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]pyridine-2-carbonitrile
CID 155981378

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine (CID 80756500) is N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine is CCNc1nc(C)cc(N2CCN(c3nccs3)CC2)n1.
What is the InChIKey of N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is GZHWPORZRHCTTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6S/c1-3-15-13-17-11(2)10-12(18-13)19-5-7-20(8-6-19)14-16-4-9-21-14/h4,9-10H,3,5-8H2,1-2H3,(H,15,17,18).
What are the key properties of N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine?
N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 304.42 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 80756500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).