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

C14H21N5O — CID 72911616

IUPAC6-(methoxymethyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2cncn2CC(C)C)ncn1
InChIInChI=1S/C14H21N5O/c1-11(2)7-19-10-15-5-13(19)6-16-14-4-12(8-20-3)17-9-18-14/h4-5,9-11H,6-8H2,1-3H3,(H,16,17,18)
InChIKeyOYMPWIAVHVZSAL-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.09
Rot. Bonds7

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

6-(methoxymethyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine (PubChem CID 72911616) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine
PubChem CID72911616
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name6-(methoxymethyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2cncn2CC(C)C)ncn1
InChIInChI=1S/C14H21N5O/c1-11(2)7-19-10-15-5-13(19)6-16-14-4-12(8-20-3)17-9-18-14/h4-5,9-11H,6-8H2,1-3H3,(H,16,17,18)
InChIKeyOYMPWIAVHVZSAL-UHFFFAOYSA-N
XLogP2.09
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(methoxymethyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine (CID 72911616) is 6-(methoxymethyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine is COCc1cc(NCc2cncn2CC(C)C)ncn1.
What is the InChIKey of 6-(methoxymethyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine?
The InChIKey is OYMPWIAVHVZSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-11(2)7-19-10-15-5-13(19)6-16-14-4-12(8-20-3)17-9-18-14/h4-5,9-11H,6-8H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(methoxymethyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine?
6-(methoxymethyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-[[3-(2-methylpropyl)imidazol-4-yl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 72911616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).