1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol

C16H21N3O — CID 75515994

IUPAC1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCc1cc(N(Cc2ccccc2)CC(C)(C)O)ncn1
InChIInChI=1S/C16H21N3O/c1-13-9-15(18-12-17-13)19(11-16(2,3)20)10-14-7-5-4-6-8-14/h4-9,12,20H,10-11H2,1-3H3
InChIKeyXZVCMADHNSKTGV-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.56
Rot. Bonds5

About 1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol

1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (PubChem CID 75515994) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
PubChem CID75515994
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
SMILESCc1cc(N(Cc2ccccc2)CC(C)(C)O)ncn1
InChIInChI=1S/C16H21N3O/c1-13-9-15(18-12-17-13)19(11-16(2,3)20)10-14-7-5-4-6-8-14/h4-9,12,20H,10-11H2,1-3H3
InChIKeyXZVCMADHNSKTGV-UHFFFAOYSA-N
XLogP2.56
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol (CID 75515994) is 1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is Cc1cc(N(Cc2ccccc2)CC(C)(C)O)ncn1.
What is the InChIKey of 1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
The InChIKey is XZVCMADHNSKTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-9-15(18-12-17-13)19(11-16(2,3)20)10-14-7-5-4-6-8-14/h4-9,12,20H,10-11H2,1-3H3.
What are the key properties of 1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol?
1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol has a molecular weight of 271.36 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol is sourced from PubChem (CID 75515994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).