2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine

C13H22N4O — CID 114632753

IUPAC2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine
SMILESCCCOc1cc(NC2CC(N)C2(C)C)ncn1
InChIInChI=1S/C13H22N4O/c1-4-5-18-12-7-11(15-8-16-12)17-10-6-9(14)13(10,2)3/h7-10H,4-6,14H2,1-3H3,(H,15,16,17)
InChIKeyNXIBQXGJTDTIGO-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.80
Rot. Bonds5

About 2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine

2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine (PubChem CID 114632753) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine.

Molecular Properties

Compound Name2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine
PubChem CID114632753
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine
SMILESCCCOc1cc(NC2CC(N)C2(C)C)ncn1
InChIInChI=1S/C13H22N4O/c1-4-5-18-12-7-11(15-8-16-12)17-10-6-9(14)13(10,2)3/h7-10H,4-6,14H2,1-3H3,(H,15,16,17)
InChIKeyNXIBQXGJTDTIGO-UHFFFAOYSA-N
XLogP1.80
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2,2-dimethylcyclobutyl)-6-propoxypyrimidin-4-amine
CID 114632018
6-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-4-amine
CID 79363085
N-(3,5-dimethylcyclohexyl)-6-propoxypyrimidin-4-amine
CID 66330206
2,2-dimethyl-1-N-(6-methylsulfanylpyrimidin-4-yl)cyclobutane-1,3-diamine
CID 106973902
N-(4-chlorocyclohexyl)-6-propoxypyrimidin-4-amine
CID 66331387
N-(2,2-dimethyloxan-4-yl)-6-propoxypyrimidin-4-amine
CID 83029099
3-[(6-propoxypyrimidin-4-yl)amino]piperidin-2-one
CID 66330181
6-butoxy-N-cyclohexylpyrimidin-4-amine
CID 82453632
3-(6-propoxypyrimidin-4-yl)oxycyclopentan-1-amine
CID 79465205
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-propoxypyrimidin-4-amine
CID 113313752
4-[(6-propoxypyrimidin-4-yl)amino]pyrrolidin-2-one
CID 114156242
6-ethoxy-N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66330184

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine?
The IUPAC name of 2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine (CID 114632753) is 2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine.
What is the SMILES notation for 2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine?
The canonical SMILES for 2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine is CCCOc1cc(NC2CC(N)C2(C)C)ncn1.
What is the InChIKey of 2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine?
The InChIKey is NXIBQXGJTDTIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-4-5-18-12-7-11(15-8-16-12)17-10-6-9(14)13(10,2)3/h7-10H,4-6,14H2,1-3H3,(H,15,16,17).
What are the key properties of 2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine?
2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine has a molecular weight of 250.35 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-N-(6-propoxypyrimidin-4-yl)cyclobutane-1,3-diamine is sourced from PubChem (CID 114632753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).