6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine

C17H23N3O — CID 63485807

IUPAC6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(-c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C17H23N3O/c1-5-10-18-16-11-13(4)19-17(20-16)14-6-8-15(9-7-14)21-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,18,19,20)
InChIKeyNFBRTMZZLXVFAW-UHFFFAOYSA-N
MW285.39 g/mol
LogP4.06
Rot. Bonds6

About 6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine

6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine (PubChem CID 63485807) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine
PubChem CID63485807
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(C)nc(-c2ccc(OC(C)C)cc2)n1
InChIInChI=1S/C17H23N3O/c1-5-10-18-16-11-13(4)19-17(20-16)14-6-8-15(9-7-14)21-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,18,19,20)
InChIKeyNFBRTMZZLXVFAW-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine (CID 63485807) is 6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine is CCCNc1cc(C)nc(-c2ccc(OC(C)C)cc2)n1.
What is the InChIKey of 6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine?
The InChIKey is NFBRTMZZLXVFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-5-10-18-16-11-13(4)19-17(20-16)14-6-8-15(9-7-14)21-12(2)3/h6-9,11-12H,5,10H2,1-4H3,(H,18,19,20).
What are the key properties of 6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine?
6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-propan-2-yloxyphenyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 63485807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).