6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine

C12H16ClN5 — CID 112549981

IUPAC6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCCc1nn(C)cc1CNc1cc(Cl)nc(C)n1
InChIInChI=1S/C12H16ClN5/c1-4-10-9(7-18(3)17-10)6-14-12-5-11(13)15-8(2)16-12/h5,7H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyWJQMLDOXPFZKQD-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.35
Rot. Bonds4

About 6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine

6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine (PubChem CID 112549981) 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)methyl]-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
PubChem CID112549981
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
SMILESCCc1nn(C)cc1CNc1cc(Cl)nc(C)n1
InChIInChI=1S/C12H16ClN5/c1-4-10-9(7-18(3)17-10)6-14-12-5-11(13)15-8(2)16-12/h5,7H,4,6H2,1-3H3,(H,14,15,16)
InChIKeyWJQMLDOXPFZKQD-UHFFFAOYSA-N
XLogP2.35
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112671792
2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562843
2-tert-butyl-4-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 115991808
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-methylpyridazin-3-amine
CID 106549913
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3,5-dimethylaniline
CID 112549337
5-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4-methylpyridin-2-amine
CID 115886989
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-6-hydrazinylpyridin-2-amine
CID 112672293
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-4,6-dimethoxypyrimidin-2-amine
CID 115990421
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971957
3-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-fluoroaniline
CID 103894043
4-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-fluoroaniline
CID 112668861
6-bromo-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyridin-3-amine
CID 104599955

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine (CID 112549981) is 6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine is CCc1nn(C)cc1CNc1cc(Cl)nc(C)n1.
What is the InChIKey of 6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine?
The InChIKey is WJQMLDOXPFZKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-4-10-9(7-18(3)17-10)6-14-12-5-11(13)15-8(2)16-12/h5,7H,4,6H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine?
6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine has a molecular weight of 265.75 g/mol, XLogP of 2.35, 4 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)methyl]-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112549981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).