1-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol

C14H24N4O — CID 56707248

IUPAC1-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol
SMILESCCC(O)CNc1cc(C2CCNCC2)nc(C)n1
InChIInChI=1S/C14H24N4O/c1-3-12(19)9-16-14-8-13(17-10(2)18-14)11-4-6-15-7-5-11/h8,11-12,15,19H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyXRIZIEQWPZYWOT-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.43
Rot. Bonds5

About 1-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol

1-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol (PubChem CID 56707248) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol.

Molecular Properties

Compound Name1-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol
PubChem CID56707248
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol
SMILESCCC(O)CNc1cc(C2CCNCC2)nc(C)n1
InChIInChI=1S/C14H24N4O/c1-3-12(19)9-16-14-8-13(17-10(2)18-14)11-4-6-15-7-5-11/h8,11-12,15,19H,3-7,9H2,1-2H3,(H,16,17,18)
InChIKeyXRIZIEQWPZYWOT-UHFFFAOYSA-N
XLogP1.43
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol?
The IUPAC name of 1-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol (CID 56707248) is 1-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol.
What is the SMILES notation for 1-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol?
The canonical SMILES for 1-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol is CCC(O)CNc1cc(C2CCNCC2)nc(C)n1.
What is the InChIKey of 1-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol?
The InChIKey is XRIZIEQWPZYWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-3-12(19)9-16-14-8-13(17-10(2)18-14)11-4-6-15-7-5-11/h8,11-12,15,19H,3-7,9H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol?
1-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol has a molecular weight of 264.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)amino]butan-2-ol is sourced from PubChem (CID 56707248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).