1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine

C10H16N4O — CID 112634754

IUPAC1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine
SMILESCOc1cc(C)nc(NC2CC(N)C2)n1
InChIInChI=1S/C10H16N4O/c1-6-3-9(15-2)14-10(12-6)13-8-4-7(11)5-8/h3,7-8H,4-5,11H2,1-2H3,(H,12,13,14)
InChIKeyCWALRSSXYQSLHP-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.70
Rot. Bonds3

About 1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine

1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine (PubChem CID 112634754) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine
PubChem CID112634754
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine
SMILESCOc1cc(C)nc(NC2CC(N)C2)n1
InChIInChI=1S/C10H16N4O/c1-6-3-9(15-2)14-10(12-6)13-8-4-7(11)5-8/h3,7-8H,4-5,11H2,1-2H3,(H,12,13,14)
InChIKeyCWALRSSXYQSLHP-UHFFFAOYSA-N
XLogP0.70
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6-methyl-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671869
1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine
CID 112634753
[3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]cyclohexyl]methanol
CID 112753377
N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112695265
N-(4-methoxy-6-methylpyrimidin-2-yl)azepan-3-amine
CID 112634935
4-methoxy-6-methyl-N-(2-propylcyclopropyl)pyrimidin-2-amine
CID 103710921
N-(3,5-dimethylcyclohexyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 115975126
4-N-(4,6-dimethylpyrimidin-2-yl)cyclohexane-1,4-diamine
CID 62319423
4-methoxy-N-(2-methoxycyclopentyl)-6-methylpyrimidin-2-amine
CID 112699094
4-methoxy-6-methyl-N-(2-methylcycloheptyl)pyrimidin-2-amine
CID 112638041
N-cyclooctyl-4,6-dimethoxypyrimidin-2-amine
CID 115354929
N-(dicyclopropylmethyl)-4-methoxy-6-methylpyrimidin-2-amine
CID 112691713

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine (CID 112634754) is 1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine is COc1cc(C)nc(NC2CC(N)C2)n1.
What is the InChIKey of 1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine?
The InChIKey is CWALRSSXYQSLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-6-3-9(15-2)14-10(12-6)13-8-4-7(11)5-8/h3,7-8H,4-5,11H2,1-2H3,(H,12,13,14).
What are the key properties of 1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine?
1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine has a molecular weight of 208.26 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine is sourced from PubChem (CID 112634754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).