6-methoxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine

C13H19N5O — CID 50976269

IUPAC6-methoxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine
SMILESCOc1cc(NCc2cncn2CC(C)C)ncn1
InChIInChI=1S/C13H19N5O/c1-10(2)7-18-9-14-5-11(18)6-15-12-4-13(19-3)17-8-16-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,16,17)
InChIKeyWVBOMSRGUWGXOU-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.95
Rot. Bonds6

About 6-methoxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine

6-methoxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine (PubChem CID 50976269) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-methoxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine
PubChem CID50976269
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-methoxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine
SMILESCOc1cc(NCc2cncn2CC(C)C)ncn1
InChIInChI=1S/C13H19N5O/c1-10(2)7-18-9-14-5-11(18)6-15-12-4-13(19-3)17-8-16-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,16,17)
InChIKeyWVBOMSRGUWGXOU-UHFFFAOYSA-N
XLogP1.95
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine (CID 50976269) is 6-methoxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine is COc1cc(NCc2cncn2CC(C)C)ncn1.
What is the InChIKey of 6-methoxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is WVBOMSRGUWGXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(2)7-18-9-14-5-11(18)6-15-12-4-13(19-3)17-8-16-12/h4-5,8-10H,6-7H2,1-3H3,(H,15,16,17).
What are the key properties of 6-methoxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine?
6-methoxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 261.33 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 50976269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).