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

C11H14ClN5 — CID 102806833

IUPAC6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1cn(C)nc1C
InChIInChI=1S/C11H14ClN5/c1-4-8-10(12)13-6-14-11(8)15-9-5-17(3)16-7(9)2/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeySJRTXCYPXGNXLI-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.48
Rot. Bonds3

About 6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine

6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine (PubChem CID 102806833) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine
PubChem CID102806833
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1Nc1cn(C)nc1C
InChIInChI=1S/C11H14ClN5/c1-4-8-10(12)13-6-14-11(8)15-9-5-17(3)16-7(9)2/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeySJRTXCYPXGNXLI-UHFFFAOYSA-N
XLogP2.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine
CID 112671803
6-chloro-5-ethyl-N-(5-fluoro-2-methylphenyl)pyrimidin-4-amine
CID 55228721
6-chloro-N-(2-chloro-5-methylphenyl)-5-ethylpyrimidin-4-amine
CID 107637059
N-(2-bromo-4-methylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 55229482
4-N-(1,3-dimethylpyrazol-4-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 102807888
6-chloro-5-ethyl-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-4-amine
CID 115564740
5-ethyl-6-hydrazinyl-N-(1-methyl-3-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 114262897
N-(2-bromo-5-chlorophenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 81275227
6-chloro-N-(3,4-dimethylphenyl)-5-ethylpyrimidin-4-amine
CID 63735587
N-(4-bromo-3,5-dimethylphenyl)-6-chloro-5-ethylpyrimidin-4-amine
CID 107576834
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine
CID 107464314
6-chloro-N-(2,5-dimethoxyphenyl)-5-ethylpyrimidin-4-amine
CID 63734399

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine (CID 102806833) is 6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine is CCc1c(Cl)ncnc1Nc1cn(C)nc1C.
What is the InChIKey of 6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine?
The InChIKey is SJRTXCYPXGNXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-4-8-10(12)13-6-14-11(8)15-9-5-17(3)16-7(9)2/h5-6H,4H2,1-3H3,(H,13,14,15).
What are the key properties of 6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine?
6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 102806833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).