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

C12H16ClN5 — CID 80936080

IUPAC6-chloro-2-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(N(C)Cc2cnn(C)c2)n1
InChIInChI=1S/C12H16ClN5/c1-4-11-15-10(13)5-12(16-11)17(2)7-9-6-14-18(3)8-9/h5-6,8H,4,7H2,1-3H3
InChIKeySTKTUQHCZFGKKR-UHFFFAOYSA-N
MW265.75 g/mol
LogP2.06
Rot. Bonds4

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

6-chloro-2-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (PubChem CID 80936080) has the molecular formula C12H16ClN5 and a molecular weight of 265.75 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
PubChem CID80936080
Molecular FormulaC12H16ClN5
Molecular Weight265.75 g/mol
Exact Mass265.11
IUPAC Name6-chloro-2-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(N(C)Cc2cnn(C)c2)n1
InChIInChI=1S/C12H16ClN5/c1-4-11-15-10(13)5-12(16-11)17(2)7-9-6-14-18(3)8-9/h5-6,8H,4,7H2,1-3H3
InChIKeySTKTUQHCZFGKKR-UHFFFAOYSA-N
XLogP2.06
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.75
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102715603
N-[(4-bromophenyl)methyl]-6-chloro-2-ethyl-N-methylpyrimidin-4-amine
CID 80935805
6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936276
6-chloro-2-ethyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 80936193
3-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]propanenitrile
CID 80943703
6-N-methyl-6-N-[(1-methylpyrazol-4-yl)methyl]pyridine-2,3,6-triamine
CID 79827181
4-chloro-2-(chloromethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 114846489
5-(ethylaminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 107379754
ethane;4-ethyl-1-methylpyrazole
CID 143829284
2-[(6-chloro-2-ethylpyrimidin-4-yl)-methylamino]-1-pyrrolidin-1-ylethanone
CID 80936172
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(propylaminomethyl)pyrazin-2-amine
CID 107379755
[6-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-2-pyridinyl]methanol
CID 62254806

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine (CID 80936080) is 6-chloro-2-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is CCc1nc(Cl)cc(N(C)Cc2cnn(C)c2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
The InChIKey is STKTUQHCZFGKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5/c1-4-11-15-10(13)5-12(16-11)17(2)7-9-6-14-18(3)8-9/h5-6,8H,4,7H2,1-3H3.
What are the key properties of 6-chloro-2-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine?
6-chloro-2-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine has a molecular weight of 265.75 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 80936080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).