5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine

C11H13Cl2N5 — CID 80857052

IUPAC5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(-n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C11H13Cl2N5/c1-4-14-11-15-5-8(12)10(16-11)18-7(3)9(13)6(2)17-18/h5H,4H2,1-3H3,(H,14,15,16)
InChIKeyXKXRGZJHYKSXSX-UHFFFAOYSA-N
MW286.17 g/mol
LogP3.02
Rot. Bonds3

About 5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine

5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine (PubChem CID 80857052) has the molecular formula C11H13Cl2N5 and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine
PubChem CID80857052
Molecular FormulaC11H13Cl2N5
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine
SMILESCCNc1ncc(Cl)c(-n2nc(C)c(Cl)c2C)n1
InChIInChI=1S/C11H13Cl2N5/c1-4-14-11-15-5-8(12)10(16-11)18-7(3)9(13)6(2)17-18/h5H,4H2,1-3H3,(H,14,15,16)
InChIKeyXKXRGZJHYKSXSX-UHFFFAOYSA-N
XLogP3.02
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-5-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine
CID 80857593
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 80856712
5-chloro-N-ethyl-4-piperazin-1-ylpyrimidin-2-amine
CID 80836911
4-(benzimidazol-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
CID 80853710
4-(4-tert-butylpiperazin-1-yl)-5-chloro-N-ethylpyrimidin-2-amine
CID 80796160
4-[5-chloro-2-(ethylamino)pyrimidin-4-yl]piperazine-2,6-dione
CID 80855498
5-chloro-4-(2,6-dimethylmorpholin-4-yl)-N-ethylpyrimidin-2-amine
CID 80764781
5-chloro-N-ethyl-4-(4-methyl-1,4-diazepan-1-yl)pyrimidin-2-amine
CID 80766486
5-chloro-2-N-ethyl-4-N-methylpyrimidine-2,4-diamine
CID 80769890
5-chloro-4-(3,5-diethylpyrazol-1-yl)-N-propylpyrimidin-2-amine
CID 82699718
1-[4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-methylpyrimidin-5-yl]-N-methylmethanamine
CID 114216739
N-[[2-(4-chloro-3,5-dimethylpyrazol-1-yl)-4,6-dimethyl-3-pyridinyl]methyl]ethanamine
CID 62294980

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine (CID 80857052) is 5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine is CCNc1ncc(Cl)c(-n2nc(C)c(Cl)c2C)n1.
What is the InChIKey of 5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine?
The InChIKey is XKXRGZJHYKSXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N5/c1-4-14-11-15-5-8(12)10(16-11)18-7(3)9(13)6(2)17-18/h5H,4H2,1-3H3,(H,14,15,16).
What are the key properties of 5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine?
5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine has a molecular weight of 286.17 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-ethylpyrimidin-2-amine is sourced from PubChem (CID 80857052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).