6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine

C17H23N3O — CID 80949110

IUPAC6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc(OC)cc2)nc(C(C)C)n1
InChIInChI=1S/C17H23N3O/c1-5-10-18-16-11-15(19-17(20-16)12(2)3)13-6-8-14(21-4)9-7-13/h6-9,11-12H,5,10H2,1-4H3,(H,18,19,20)
InChIKeyMBUFGHDWGZJTAC-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.10
Rot. Bonds6

About 6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine

6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80949110) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80949110
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2ccc(OC)cc2)nc(C(C)C)n1
InChIInChI=1S/C17H23N3O/c1-5-10-18-16-11-15(19-17(20-16)12(2)3)13-6-8-14(21-4)9-7-13/h6-9,11-12H,5,10H2,1-4H3,(H,18,19,20)
InChIKeyMBUFGHDWGZJTAC-UHFFFAOYSA-N
XLogP4.10
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 80949110) is 6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1cc(-c2ccc(OC)cc2)nc(C(C)C)n1.
What is the InChIKey of 6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is MBUFGHDWGZJTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-10-18-16-11-15(19-17(20-16)12(2)3)13-6-8-14(21-4)9-7-13/h6-9,11-12H,5,10H2,1-4H3,(H,18,19,20).
What are the key properties of 6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80949110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).