1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol

C13H23N3O2 — CID 79390588

IUPAC1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol
SMILESCC(C)c1ncc(N(C)CC(C)(C)O)c(CO)n1
InChIInChI=1S/C13H23N3O2/c1-9(2)12-14-6-11(10(7-17)15-12)16(5)8-13(3,4)18/h6,9,17-18H,7-8H2,1-5H3
InChIKeyBHMPTPLTJVPTIR-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.30
Rot. Bonds5

About 1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol

1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol (PubChem CID 79390588) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol
PubChem CID79390588
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol
SMILESCC(C)c1ncc(N(C)CC(C)(C)O)c(CO)n1
InChIInChI=1S/C13H23N3O2/c1-9(2)12-14-6-11(10(7-17)15-12)16(5)8-13(3,4)18/h6,9,17-18H,7-8H2,1-5H3
InChIKeyBHMPTPLTJVPTIR-UHFFFAOYSA-N
XLogP1.30
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol (CID 79390588) is 1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol is CC(C)c1ncc(N(C)CC(C)(C)O)c(CO)n1.
What is the InChIKey of 1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol?
The InChIKey is BHMPTPLTJVPTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(2)12-14-6-11(10(7-17)15-12)16(5)8-13(3,4)18/h6,9,17-18H,7-8H2,1-5H3.
What are the key properties of 1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol?
1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol has a molecular weight of 253.35 g/mol, XLogP of 1.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(hydroxymethyl)-2-propan-2-ylpyrimidin-5-yl]-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79390588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).