[3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine

C16H21N3O — CID 65471579

IUPAC[3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1Oc1cc(C(C)C)ncn1
InChIInChI=1S/C16H21N3O/c1-10(2)14-7-15(19-9-18-14)20-16-11(3)5-13(8-17)6-12(16)4/h5-7,9-10H,8,17H2,1-4H3
InChIKeyRFIAHZSVVUFFHL-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.47
Rot. Bonds4

About [3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine

[3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine (PubChem CID 65471579) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is [3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine.

Molecular Properties

Compound Name[3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine
PubChem CID65471579
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name[3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine
SMILESCc1cc(CN)cc(C)c1Oc1cc(C(C)C)ncn1
InChIInChI=1S/C16H21N3O/c1-10(2)14-7-15(19-9-18-14)20-16-11(3)5-13(8-17)6-12(16)4/h5-7,9-10H,8,17H2,1-4H3
InChIKeyRFIAHZSVVUFFHL-UHFFFAOYSA-N
XLogP3.47
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 ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine?
The IUPAC name of [3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine (CID 65471579) is [3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine.
What is the SMILES notation for [3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine?
The canonical SMILES for [3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine is Cc1cc(CN)cc(C)c1Oc1cc(C(C)C)ncn1.
What is the InChIKey of [3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine?
The InChIKey is RFIAHZSVVUFFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-10(2)14-7-15(19-9-18-14)20-16-11(3)5-13(8-17)6-12(16)4/h5-7,9-10H,8,17H2,1-4H3.
What are the key properties of [3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine?
[3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine has a molecular weight of 271.36 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dimethyl-4-(6-propan-2-ylpyrimidin-4-yl)oxyphenyl]methanamine is sourced from PubChem (CID 65471579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).