2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol

C15H27N3O — CID 72937160

IUPAC2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol
SMILESCC(CCCC(C)(C)O)Nc1cc(C(C)C)ncn1
InChIInChI=1S/C15H27N3O/c1-11(2)13-9-14(17-10-16-13)18-12(3)7-6-8-15(4,5)19/h9-12,19H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyYMBGQHCYXFFDFZ-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.34
Rot. Bonds7

About 2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol

2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol (PubChem CID 72937160) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol.

Molecular Properties

Compound Name2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol
PubChem CID72937160
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol
SMILESCC(CCCC(C)(C)O)Nc1cc(C(C)C)ncn1
InChIInChI=1S/C15H27N3O/c1-11(2)13-9-14(17-10-16-13)18-12(3)7-6-8-15(4,5)19/h9-12,19H,6-8H2,1-5H3,(H,16,17,18)
InChIKeyYMBGQHCYXFFDFZ-UHFFFAOYSA-N
XLogP3.34
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol?
The IUPAC name of 2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol (CID 72937160) is 2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol.
What is the SMILES notation for 2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol?
The canonical SMILES for 2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol is CC(CCCC(C)(C)O)Nc1cc(C(C)C)ncn1.
What is the InChIKey of 2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol?
The InChIKey is YMBGQHCYXFFDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-11(2)13-9-14(17-10-16-13)18-12(3)7-6-8-15(4,5)19/h9-12,19H,6-8H2,1-5H3,(H,16,17,18).
What are the key properties of 2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol?
2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol has a molecular weight of 265.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(6-propan-2-ylpyrimidin-4-yl)amino]heptan-2-ol is sourced from PubChem (CID 72937160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).