6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

C16H21N3O — CID 62201941

IUPAC6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCC(C)Oc1ccc(-c2nc(N)cc(C(C)C)n2)cc1
InChIInChI=1S/C16H21N3O/c1-10(2)14-9-15(17)19-16(18-14)12-5-7-13(8-6-12)20-11(3)4/h5-11H,1-4H3,(H2,17,18,19)
InChIKeyGSDSANMYYUWTQO-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.64
Rot. Bonds4

About 6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine

6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (PubChem CID 62201941) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
PubChem CID62201941
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
SMILESCC(C)Oc1ccc(-c2nc(N)cc(C(C)C)n2)cc1
InChIInChI=1S/C16H21N3O/c1-10(2)14-9-15(17)19-16(18-14)12-5-7-13(8-6-12)20-11(3)4/h5-11H,1-4H3,(H2,17,18,19)
InChIKeyGSDSANMYYUWTQO-UHFFFAOYSA-N
XLogP3.64
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The IUPAC name of 6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine (CID 62201941) is 6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is CC(C)Oc1ccc(-c2nc(N)cc(C(C)C)n2)cc1.
What is the InChIKey of 6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
The InChIKey is GSDSANMYYUWTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10(2)14-9-15(17)19-16(18-14)12-5-7-13(8-6-12)20-11(3)4/h5-11H,1-4H3,(H2,17,18,19).
What are the key properties of 6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine?
6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine has a molecular weight of 271.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-2-(4-propan-2-yloxyphenyl)pyrimidin-4-amine is sourced from PubChem (CID 62201941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).