2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine

C14H21N5 — CID 80654507

IUPAC2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(Cn2cnc(C)c2C)n1
InChIInChI=1S/C14H21N5/c1-5-6-15-13-7-10(2)17-14(18-13)8-19-9-16-11(3)12(19)4/h7,9H,5-6,8H2,1-4H3,(H,15,17,18)
InChIKeyFHZOVGSXWRTOTD-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.47
Rot. Bonds5

About 2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine

2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine (PubChem CID 80654507) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
PubChem CID80654507
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(Cn2cnc(C)c2C)n1
InChIInChI=1S/C14H21N5/c1-5-6-15-13-7-10(2)17-14(18-13)8-19-9-16-11(3)12(19)4/h7,9H,5-6,8H2,1-4H3,(H,15,17,18)
InChIKeyFHZOVGSXWRTOTD-UHFFFAOYSA-N
XLogP2.47
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N,2-dipropylpyrimidin-4-amine
CID 6460821
5-bromo-3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]-6-methylpyrimidin-4-one
CID 80654435
6-methyl-N-propyl-2-(1,2,4-triazol-1-ylmethyl)pyrimidin-4-amine
CID 80654333
2-(azocan-1-ylmethyl)-6-methyl-N-propylpyrimidin-4-amine
CID 80657624
6-methyl-N-propyl-2-(thiomorpholin-4-ylmethyl)pyrimidin-4-amine
CID 80657990
5-bromo-2-methyl-3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]pyrimidin-4-one
CID 80664522
2-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-ethyl-6-methylpyrimidin-4-amine
CID 80654658
2-[(1,1-dioxo-1,4-thiazinan-4-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine
CID 80657242
3-[[4-(ethylamino)-6-methylpyrimidin-2-yl]methyl]thieno[2,3-d]pyrimidin-4-one
CID 80663820
6-methyl-2-[(3-methylmorpholin-4-yl)methyl]-N-propylpyrimidin-4-amine
CID 80657743
4-[(4,5-dimethylimidazol-1-yl)methyl]-N-propylthiadiazol-5-amine
CID 55065032
3-[[4-methyl-6-(propylamino)pyrimidin-2-yl]methyl]imidazolidine-2,4-dione
CID 80655042

Frequently Asked Questions

What is the IUPAC name of 2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine (CID 80654507) is 2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(Cn2cnc(C)c2C)n1.
What is the InChIKey of 2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
The InChIKey is FHZOVGSXWRTOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-5-6-15-13-7-10(2)17-14(18-13)8-19-9-16-11(3)12(19)4/h7,9H,5-6,8H2,1-4H3,(H,15,17,18).
What are the key properties of 2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine?
2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine has a molecular weight of 259.36 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,5-dimethylimidazol-1-yl)methyl]-6-methyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80654507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).