1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine

C12H20N4O — CID 112634753

IUPAC1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine
SMILESCc1cc(OC(C)C)nc(NC2CC(N)C2)n1
InChIInChI=1S/C12H20N4O/c1-7(2)17-11-4-8(3)14-12(16-11)15-10-5-9(13)6-10/h4,7,9-10H,5-6,13H2,1-3H3,(H,14,15,16)
InChIKeyXVSXSHRIZRRINU-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.47
Rot. Bonds4

About 1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine

1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine (PubChem CID 112634753) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine
PubChem CID112634753
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine
SMILESCc1cc(OC(C)C)nc(NC2CC(N)C2)n1
InChIInChI=1S/C12H20N4O/c1-7(2)17-11-4-8(3)14-12(16-11)15-10-5-9(13)6-10/h4,7,9-10H,5-6,13H2,1-3H3,(H,14,15,16)
InChIKeyXVSXSHRIZRRINU-UHFFFAOYSA-N
XLogP1.47
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(4-methoxy-6-methylpyrimidin-2-yl)cyclobutane-1,3-diamine
CID 112634754
N-(2,2-dimethyloxan-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 115975318
4-methyl-N-(2-methylcyclohexyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636524
N-(cyclobutylmethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636641
7-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)-2-oxabicyclo[3.2.0]heptane-6,7-diamine
CID 115973506
N-[2-(aminomethyl)cyclopentyl]-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635000
N-(1,3-dimethylpiperidin-4-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 114504765
4-methoxy-6-methyl-N-(3-methylcyclobutyl)pyrimidin-2-amine
CID 115671869
4-methyl-N-(3-methylbutan-2-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 112636615
N-(2-cyclopentylethyl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112636873
2-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 115973097
N-(1-chloro-3-methylbutan-2-yl)-4-methyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635672

Frequently Asked Questions

What is the IUPAC name of 1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine?
The IUPAC name of 1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine (CID 112634753) is 1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine.
What is the SMILES notation for 1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine?
The canonical SMILES for 1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine is Cc1cc(OC(C)C)nc(NC2CC(N)C2)n1.
What is the InChIKey of 1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine?
The InChIKey is XVSXSHRIZRRINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-7(2)17-11-4-8(3)14-12(16-11)15-10-5-9(13)6-10/h4,7,9-10H,5-6,13H2,1-3H3,(H,14,15,16).
What are the key properties of 1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine?
1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)cyclobutane-1,3-diamine is sourced from PubChem (CID 112634753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).