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

C14H19ClN6S — CID 133272930

IUPAC4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCCc1nc(CN2CCN(c3cc(Cl)nc(N)n3)CC2)cs1
InChIInChI=1S/C14H19ClN6S/c1-2-13-17-10(9-22-13)8-20-3-5-21(6-4-20)12-7-11(15)18-14(16)19-12/h7,9H,2-6,8H2,1H3,(H2,16,18,19)
InChIKeyGQOJHFUQVPZFLT-UHFFFAOYSA-N
MW338.87 g/mol
LogP2.05
Rot. Bonds4

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

4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 133272930) has the molecular formula C14H19ClN6S and a molecular weight of 338.87 g/mol. Its IUPAC name is 4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID133272930
Molecular FormulaC14H19ClN6S
Molecular Weight338.87 g/mol
Exact Mass338.11
IUPAC Name4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCCc1nc(CN2CCN(c3cc(Cl)nc(N)n3)CC2)cs1
InChIInChI=1S/C14H19ClN6S/c1-2-13-17-10(9-22-13)8-20-3-5-21(6-4-20)12-7-11(15)18-14(16)19-12/h7,9H,2-6,8H2,1H3,(H2,16,18,19)
InChIKeyGQOJHFUQVPZFLT-UHFFFAOYSA-N
XLogP2.05
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.87
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-chloro-6-[4-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methyl]piperazin-1-yl]pyrimidin-2-amine
CID 55570137
4-[[4-(6-chloropyrazin-2-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 133272934
4-[[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]methyl]-2-ethyl-1,3-thiazole
CID 133272943
4-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 166136014
[4-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-1,3-thiazol-2-yl]methanamine
CID 62417334
4-chloro-6-[4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 60503705
4-[[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile
CID 31537774
2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-methylacetamide
CID 47159148
2-amino-1-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-2-methylpropan-1-one
CID 119864313
ethyl 4-(2-amino-6-chloropyrimidin-4-yl)piperazine-1-carboxylate
CID 1481937
(4-amino-5-chloro-2-methoxyphenyl)-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]methanone
CID 119864369
2-[4-(2-amino-6-chloropyrimidin-4-yl)piperazin-1-yl]-N-[(2R)-butan-2-yl]acetamide
CID 51983147

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine (CID 133272930) is 4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine is CCc1nc(CN2CCN(c3cc(Cl)nc(N)n3)CC2)cs1.
What is the InChIKey of 4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is GQOJHFUQVPZFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN6S/c1-2-13-17-10(9-22-13)8-20-3-5-21(6-4-20)12-7-11(15)18-14(16)19-12/h7,9H,2-6,8H2,1H3,(H2,16,18,19).
What are the key properties of 4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine?
4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 338.87 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[4-[(2-ethyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 133272930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).