6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine

C12H16ClN5 — CID 107464313

IUPAC6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine
SMILESCCc1nn(C)cc1Nc1nc(C)nc(Cl)c1C
InChIInChI=1S/C12H16ClN5/c1-5-9-10(6-18(4)17-9)16-12-7(2)11(13)14-8(3)15-12/h6H,5H2,1-4H3,(H,14,15,16)
InChIKeyDNDIYNIHLFSNQK-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.79
Rot. Bonds3

About 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine

6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine (PubChem CID 107464313) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine
PubChem CID107464313
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine
SMILESCCc1nn(C)cc1Nc1nc(C)nc(Cl)c1C
InChIInChI=1S/C12H16ClN5/c1-5-9-10(6-18(4)17-9)16-12-7(2)11(13)14-8(3)15-12/h6H,5H2,1-4H3,(H,14,15,16)
InChIKeyDNDIYNIHLFSNQK-UHFFFAOYSA-N
XLogP2.79
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-5-methylpyrimidin-4-amine
CID 107464314
3-N-(3-ethyl-1-methylpyrazol-4-yl)pyrazine-2,3-diamine
CID 107465112
N-(3-ethyl-1-methylpyrazol-4-yl)-4-methylphthalazin-1-amine
CID 103908129
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinylpyrimidin-4-amine
CID 107465311
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpyridin-2-amine
CID 107463689
N-(3-ethyl-1-methylpyrazol-4-yl)-2-hydrazinyl-5-methylpyrimidin-4-amine
CID 107465309
3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 103908152
(3-ethyl-1-methylpyrazol-4-yl)hydrazine
CID 107462607
N-(3-ethyl-1-methylpyrazol-4-yl)-5-iodopyrimidin-4-amine
CID 107463701
5-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-3-nitropyridin-2-amine
CID 103908163
N-(3-ethyl-1-methylpyrazol-4-yl)-6-methylpyridazin-3-amine
CID 107463688
5-bromo-2-N-ethyl-4-N-(3-ethyl-1-methylpyrazol-4-yl)pyrimidine-2,4-diamine
CID 107465162

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine (CID 107464313) is 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine is CCc1nn(C)cc1Nc1nc(C)nc(Cl)c1C.
What is the InChIKey of 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine?
The InChIKey is DNDIYNIHLFSNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-5-9-10(6-18(4)17-9)16-12-7(2)11(13)14-8(3)15-12/h6H,5H2,1-4H3,(H,14,15,16).
What are the key properties of 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine?
6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine has a molecular weight of 265.75 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(3-ethyl-1-methylpyrazol-4-yl)-2,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 107464313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).