3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine

C13H23N3O — CID 66334016

IUPAC3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine
SMILESCCCOc1cc(CC(N)C(C)(C)C)ncn1
InChIInChI=1S/C13H23N3O/c1-5-6-17-12-8-10(15-9-16-12)7-11(14)13(2,3)4/h8-9,11H,5-7,14H2,1-4H3
InChIKeyXMMHCBDTZSIIGX-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.18
Rot. Bonds5

About 3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine

3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine (PubChem CID 66334016) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine
PubChem CID66334016
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine
SMILESCCCOc1cc(CC(N)C(C)(C)C)ncn1
InChIInChI=1S/C13H23N3O/c1-5-6-17-12-8-10(15-9-16-12)7-11(14)13(2,3)4/h8-9,11H,5-7,14H2,1-4H3
InChIKeyXMMHCBDTZSIIGX-UHFFFAOYSA-N
XLogP2.18
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-bromo-3,3-dimethylbutyl)-6-propoxypyrimidine
CID 66331791
1-phenyl-2-(6-propoxypyrimidin-4-yl)ethanol
CID 66333616
1-methoxy-3-(6-propoxypyrimidin-4-yl)-N-propylpropan-2-amine
CID 66334220
N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine
CID 66333010
1-(6-ethoxypyrimidin-4-yl)-3-methoxypropan-2-amine
CID 66318346
3-methyl-1-N-(6-propoxypyrimidin-4-yl)butane-1,2-diamine
CID 66331778
3-[(6-propoxypyrimidin-4-yl)oxymethyl]pentan-3-amine
CID 66333203
3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 66331216
2-methyl-1-(6-propylpyrimidin-4-yl)oxybutan-2-amine
CID 64572779
[4-(6-propoxypyrimidin-4-yl)oxyphenyl]methanamine
CID 106485714
N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine
CID 107816415
1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 66318571

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine (CID 66334016) is 3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine is CCCOc1cc(CC(N)C(C)(C)C)ncn1.
What is the InChIKey of 3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine?
The InChIKey is XMMHCBDTZSIIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-5-6-17-12-8-10(15-9-16-12)7-11(14)13(2,3)4/h8-9,11H,5-7,14H2,1-4H3.
What are the key properties of 3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine?
3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine has a molecular weight of 237.35 g/mol, XLogP of 2.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine is sourced from PubChem (CID 66334016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).