6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine

C11H15N5O — CID 138018974

IUPAC6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2ncc(C)[nH]2)ncn1
InChIInChI=1S/C11H15N5O/c1-8-4-12-11(16-8)5-13-10-3-9(6-17-2)14-7-15-10/h3-4,7H,5-6H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyNSHYAFZXUJKRFY-UHFFFAOYSA-N
MW233.28 g/mol
LogP1.27
Rot. Bonds5

About 6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine

6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine (PubChem CID 138018974) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine
PubChem CID138018974
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine
SMILESCOCc1cc(NCc2ncc(C)[nH]2)ncn1
InChIInChI=1S/C11H15N5O/c1-8-4-12-11(16-8)5-13-10-3-9(6-17-2)14-7-15-10/h3-4,7H,5-6H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyNSHYAFZXUJKRFY-UHFFFAOYSA-N
XLogP1.27
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(methoxymethyl)-N-[[3-methyl-4-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 167965936
6-(methoxymethyl)-N-[(3-methyl-1-benzofuran-2-yl)methyl]pyrimidin-4-amine
CID 72840493
6-(methoxymethyl)-N-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyrimidin-4-amine
CID 72891572
2-[[6-(methoxymethyl)pyrimidin-4-yl]amino]propanoic acid
CID 126848603
N-[[5-chloro-2-(3,4-dimethylphenoxy)phenyl]methyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 139015930
N-methyl-1-(5-methyl-1H-imidazol-2-yl)methanamine;dihydrochloride
CID 53398821
6-(methoxymethyl)-N-[3-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propyl]pyrimidin-4-amine
CID 72934920
2-(methoxymethyl)-6-methyl-N-[[5-(4-methylphenyl)-1H-imidazol-2-yl]methyl]pyrimidin-4-amine
CID 139017886
N-[[3-(methoxymethyl)phenyl]methyl]-6-methylpyrimidin-4-amine
CID 61226702
2-bromo-N-[6-(methoxymethyl)pyrimidin-4-yl]-4-methylbenzamide
CID 84590331
4-fluoro-2-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]aniline
CID 167757454
6-ethoxy-N-(1H-1,2,4-triazol-5-ylmethyl)pyrimidin-4-amine
CID 66327990

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine (CID 138018974) is 6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine is COCc1cc(NCc2ncc(C)[nH]2)ncn1.
What is the InChIKey of 6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine?
The InChIKey is NSHYAFZXUJKRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8-4-12-11(16-8)5-13-10-3-9(6-17-2)14-7-15-10/h3-4,7H,5-6H2,1-2H3,(H,12,16)(H,13,14,15).
What are the key properties of 6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine?
6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine has a molecular weight of 233.28 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 138018974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).