6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine

C12H18N6 — CID 135118772

IUPAC6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(NCc2nccn2C)c1C
InChIInChI=1S/C12H18N6/c1-4-9-8(2)11(17-12(13)16-9)15-7-10-14-5-6-18(10)3/h5-6H,4,7H2,1-3H3,(H3,13,15,16,17)
InChIKeyKEYHPGFDWIRCFX-UHFFFAOYSA-N
MW246.32 g/mol
LogP1.28
Rot. Bonds4

About 6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine

6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine (PubChem CID 135118772) has the molecular formula C12H18N6 and a molecular weight of 246.32 g/mol. Its IUPAC name is 6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
PubChem CID135118772
Molecular FormulaC12H18N6
Molecular Weight246.32 g/mol
Exact Mass246.16
IUPAC Name6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(NCc2nccn2C)c1C
InChIInChI=1S/C12H18N6/c1-4-9-8(2)11(17-12(13)16-9)15-7-10-14-5-6-18(10)3/h5-6H,4,7H2,1-3H3,(H3,13,15,16,17)
InChIKeyKEYHPGFDWIRCFX-UHFFFAOYSA-N
XLogP1.28
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-hydrazinyl-2,5-dimethyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80913792
6-ethyl-5-methyl-4-N-[(5-methyl-1H-imidazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 72930789
3-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazin-2-amine
CID 83062959
2-N-[(1-methylimidazol-2-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80830560
2,3-dimethyl-4-N-[(1-methylimidazol-2-yl)methyl]benzene-1,4-diamine
CID 138489685
8-N-[(1-methylimidazol-2-yl)methyl]imidazo[1,2-a]pyrazine-6,8-diamine
CID 80829250
5-bromo-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 63293701
6-methoxy-2-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,3-diamine
CID 115320795
1-N-[(1-methylimidazol-2-yl)methyl]isoquinoline-1,8-diamine
CID 82569926
5-amino-6-[(1-methylimidazol-2-yl)methylamino]pyridine-2-carboxamide
CID 114406596
6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 81138648
5-fluoro-2-hydrazinyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 80914824

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine (CID 135118772) is 6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine is CCc1nc(N)nc(NCc2nccn2C)c1C.
What is the InChIKey of 6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine?
The InChIKey is KEYHPGFDWIRCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6/c1-4-9-8(2)11(17-12(13)16-9)15-7-10-14-5-6-18(10)3/h5-6H,4,7H2,1-3H3,(H3,13,15,16,17).
What are the key properties of 6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine?
6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine has a molecular weight of 246.32 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-4-N-[(1-methylimidazol-2-yl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 135118772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).