3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine

C16H29N3O — CID 66331216

IUPAC3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(OC(C)C)ncn1)C(C)(C)C
InChIInChI=1S/C16H29N3O/c1-7-8-17-14(16(4,5)6)9-13-10-15(19-11-18-13)20-12(2)3/h10-12,14,17H,7-9H2,1-6H3
InChIKeyVBHXYUYVFGSIGW-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.22
Rot. Bonds7

About 3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine

3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine (PubChem CID 66331216) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine
PubChem CID66331216
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine
SMILESCCCNC(Cc1cc(OC(C)C)ncn1)C(C)(C)C
InChIInChI=1S/C16H29N3O/c1-7-8-17-14(16(4,5)6)9-13-10-15(19-11-18-13)20-12(2)3/h10-12,14,17H,7-9H2,1-6H3
InChIKeyVBHXYUYVFGSIGW-UHFFFAOYSA-N
XLogP3.22
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-ethylpyrimidin-4-yl)-3,3-dimethyl-N-propylbutan-2-amine
CID 63202291
1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylpentan-2-amine
CID 66334263
N-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pentan-2-amine
CID 66331828
1-(6-ethoxypyrimidin-4-yl)-N-propylbutan-2-amine
CID 66318571
N-[1-cyclopropyl-2-(6-propoxypyrimidin-4-yl)ethyl]propan-1-amine
CID 66333010
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
1-methoxy-3-(6-propoxypyrimidin-4-yl)-N-propylpropan-2-amine
CID 66334220
2-(6-propan-2-yloxypyrimidin-4-yl)acetonitrile
CID 66331626
1-(6-ethylpyrimidin-4-yl)-N-propylpropan-2-amine
CID 63200666
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319
3,3-dimethyl-1-(6-propoxypyrimidin-4-yl)butan-2-amine
CID 66334016
2-(6-propan-2-yloxypyrimidin-4-yl)acetic acid
CID 83879728

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine (CID 66331216) is 3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine is CCCNC(Cc1cc(OC(C)C)ncn1)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine?
The InChIKey is VBHXYUYVFGSIGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-7-8-17-14(16(4,5)6)9-13-10-15(19-11-18-13)20-12(2)3/h10-12,14,17H,7-9H2,1-6H3.
What are the key properties of 3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine?
3,3-dimethyl-1-(6-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine has a molecular weight of 279.43 g/mol, XLogP of 3.22, 7 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-propan-2-yloxypyrimidin-4-yl)-N-propylbutan-2-amine is sourced from PubChem (CID 66331216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).