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

C12H16ClN5 — CID 112671803

IUPAC6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCc1cn(C)nc1C
InChIInChI=1S/C12H16ClN5/c1-4-10-11(13)15-7-16-12(10)14-5-9-6-18(3)17-8(9)2/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyFDKGVAMTVHXAMG-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.35
Rot. Bonds4

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

6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine (PubChem CID 112671803) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine
PubChem CID112671803
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine
SMILESCCc1c(Cl)ncnc1NCc1cn(C)nc1C
InChIInChI=1S/C12H16ClN5/c1-4-10-11(13)15-7-16-12(10)14-5-9-6-18(3)17-8(9)2/h6-7H,4-5H2,1-3H3,(H,14,15,16)
InChIKeyFDKGVAMTVHXAMG-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)-5-ethylpyrimidin-4-amine
CID 102806833
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-6-ethoxypyrimidine-4,5-diamine
CID 112668285
6-chloro-5-ethyl-N-[(2-ethylphenyl)methyl]pyrimidin-4-amine
CID 64695768
6-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-nitropyrimidin-4-amine
CID 115991394
2-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-methylpyridin-3-amine
CID 114050786
4-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-nitropyrimidine-4,6-diamine
CID 112672278
6-chloro-5-ethyl-N-[(5-methoxy-1-methylpyrazol-3-yl)methyl]pyrimidin-4-amine
CID 114256242
6-chloro-5-ethyl-N-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 63728982
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylpyrimidin-4-amine
CID 112671792
N-[(5-bromo-2-fluorophenyl)methyl]-6-chloro-5-ethylpyrimidin-4-amine
CID 106194274
3,5-dibromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 113413721
5-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methylpyridin-2-amine
CID 112670727

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine?
The IUPAC name of 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine (CID 112671803) is 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine.
What is the SMILES notation for 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine?
The canonical SMILES for 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine is CCc1c(Cl)ncnc1NCc1cn(C)nc1C.
What is the InChIKey of 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine?
The InChIKey is FDKGVAMTVHXAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-4-10-11(13)15-7-16-12(10)14-5-9-6-18(3)17-8(9)2/h6-7H,4-5H2,1-3H3,(H,14,15,16).
What are the key properties of 6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine?
6-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-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-[(1,3-dimethylpyrazol-4-yl)methyl]-5-ethylpyrimidin-4-amine is sourced from PubChem (CID 112671803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).