2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine

C11H14ClN5 — CID 107464314

IUPAC2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine
SMILESCCc1nn(C)cc1Nc1nc(Cl)ncc1C
InChIInChI=1S/C11H14ClN5/c1-4-8-9(6-17(3)16-8)14-10-7(2)5-13-11(12)15-10/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyJVRHAHMQRZSCMH-UHFFFAOYSA-N
MW251.72 g/mol
LogP2.48
Rot. Bonds3

About 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine

2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine (PubChem CID 107464314) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine
PubChem CID107464314
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine
SMILESCCc1nn(C)cc1Nc1nc(Cl)ncc1C
InChIInChI=1S/C11H14ClN5/c1-4-8-9(6-17(3)16-8)14-10-7(2)5-13-11(12)15-10/h5-6H,4H2,1-3H3,(H,13,14,15)
InChIKeyJVRHAHMQRZSCMH-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

N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107465309
6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine
CID 107464313
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinylpyrimidin-4-amine
CID 107465311
2-chloro-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 79779087
N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-4-amine
CID 107463701
3-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,3-diamine
CID 107465112
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine
CID 103908163
4-N-(1,3-dimethylpyrazol-4-yl)-2-N,5-dimethylpyrimidine-2,4-diamine
CID 102807839
5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 107465162
N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-2-amine
CID 104844292
6-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-ethylpyrimidin-4-amine
CID 102806833
2-chloro-N-(1,3-dimethylpyrazol-4-yl)-5-nitropyrimidin-4-amine
CID 114043451

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine?
The IUPAC name of 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine (CID 107464314) is 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine is CCc1nn(C)cc1Nc1nc(Cl)ncc1C.
What is the InChIKey of 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine?
The InChIKey is JVRHAHMQRZSCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c1-4-8-9(6-17(3)16-8)14-10-7(2)5-13-11(12)15-10/h5-6H,4H2,1-3H3,(H,13,14,15).
What are the key properties of 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine?
2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-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 2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 107464314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).