[5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol

C17H23N3O — CID 62088677

IUPAC[5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCc1ccccc1CN(C)c1cnc(C(C)C)nc1CO
InChIInChI=1S/C17H23N3O/c1-12(2)17-18-9-16(15(11-21)19-17)20(4)10-14-8-6-5-7-13(14)3/h5-9,12,21H,10-11H2,1-4H3
InChIKeyCKSIHOFCBJTFNK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.04
Rot. Bonds5

About [5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol

[5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 62088677) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is [5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID62088677
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name[5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCc1ccccc1CN(C)c1cnc(C(C)C)nc1CO
InChIInChI=1S/C17H23N3O/c1-12(2)17-18-9-16(15(11-21)19-17)20(4)10-14-8-6-5-7-13(14)3/h5-9,12,21H,10-11H2,1-4H3
InChIKeyCKSIHOFCBJTFNK-UHFFFAOYSA-N
XLogP3.04
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol (CID 62088677) is [5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol is Cc1ccccc1CN(C)c1cnc(C(C)C)nc1CO.
What is the InChIKey of [5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is CKSIHOFCBJTFNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12(2)17-18-9-16(15(11-21)19-17)20(4)10-14-8-6-5-7-13(14)3/h5-9,12,21H,10-11H2,1-4H3.
What are the key properties of [5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 285.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[methyl-[(2-methylphenyl)methyl]amino]-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 62088677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).