2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol

C14H25N3O2 — CID 71846241

IUPAC2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol
SMILESCN(CC(C)(CO)CO)c1ccnc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-13(2,3)12-15-7-6-11(16-12)17(5)8-14(4,9-18)10-19/h6-7,18-19H,8-10H2,1-5H3
InChIKeyZTJCWHCOWOJZMR-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.20
Rot. Bonds5

About 2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol

2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol (PubChem CID 71846241) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol.

Molecular Properties

Compound Name2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol
PubChem CID71846241
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol
SMILESCN(CC(C)(CO)CO)c1ccnc(C(C)(C)C)n1
InChIInChI=1S/C14H25N3O2/c1-13(2,3)12-15-7-6-11(16-12)17(5)8-14(4,9-18)10-19/h6-7,18-19H,8-10H2,1-5H3
InChIKeyZTJCWHCOWOJZMR-UHFFFAOYSA-N
XLogP1.20
TPSA69.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol?
The IUPAC name of 2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol (CID 71846241) is 2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol.
What is the SMILES notation for 2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol?
The canonical SMILES for 2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol is CN(CC(C)(CO)CO)c1ccnc(C(C)(C)C)n1.
What is the InChIKey of 2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol?
The InChIKey is ZTJCWHCOWOJZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-13(2,3)12-15-7-6-11(16-12)17(5)8-14(4,9-18)10-19/h6-7,18-19H,8-10H2,1-5H3.
What are the key properties of 2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol?
2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol has a molecular weight of 267.37 g/mol, XLogP of 1.20, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-tert-butylpyrimidin-4-yl)-methylamino]methyl]-2-methylpropane-1,3-diol is sourced from PubChem (CID 71846241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).