6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

C13H18ClN5 — CID 133431995

IUPAC6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1c(Cl)nc(C)nc1N(C)Cc1nccn1C
InChIInChI=1S/C13H18ClN5/c1-5-10-12(14)16-9(2)17-13(10)19(4)8-11-15-6-7-18(11)3/h6-7H,5,8H2,1-4H3
InChIKeyACNDGDBDNWJFFC-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.37
Rot. Bonds4

About 6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine

6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 133431995) has the molecular formula C13H18ClN5 and a molecular weight of 279.77 g/mol. Its IUPAC name is 6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID133431995
Molecular FormulaC13H18ClN5
Molecular Weight279.77 g/mol
Exact Mass279.13
IUPAC Name6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCCc1c(Cl)nc(C)nc1N(C)Cc1nccn1C
InChIInChI=1S/C13H18ClN5/c1-5-10-12(14)16-9(2)17-13(10)19(4)8-11-15-6-7-18(11)3/h6-7H,5,8H2,1-4H3
InChIKeyACNDGDBDNWJFFC-UHFFFAOYSA-N
XLogP2.37
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-2-cyclopropyl-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80971759
2-[(6-chloro-5-ethyl-2-methylpyrimidin-4-yl)-methylamino]ethanol
CID 133381524
5-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 79073105
5-ethyl-6-hydrazinyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80914072
3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63025583
6-chloro-2-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80936276
2-ethyl-6-hydrazinyl-N,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 81007702
3-chloro-5-(ethylaminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63026181
6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 55183263
3-bromo-5-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 114837069
3-(aminomethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 63015295
5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 63025804

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine (CID 133431995) is 6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is CCc1c(Cl)nc(C)nc1N(C)Cc1nccn1C.
What is the InChIKey of 6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is ACNDGDBDNWJFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN5/c1-5-10-12(14)16-9(2)17-13(10)19(4)8-11-15-6-7-18(11)3/h6-7H,5,8H2,1-4H3.
What are the key properties of 6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine?
6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 279.77 g/mol, XLogP of 2.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethyl-N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 133431995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).