[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol

C15H20N6O — CID 11120125

IUPAC[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol
SMILESCc1cc(C)nc(N2CCN(c3ccnc(CO)n3)CC2)n1
InChIInChI=1S/C15H20N6O/c1-11-9-12(2)18-15(17-11)21-7-5-20(6-8-21)14-3-4-16-13(10-22)19-14/h3-4,9,22H,5-8,10H2,1-2H3
InChIKeyKXEHNZFYMZBSFZ-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.70
Rot. Bonds3

About [4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol

[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol (PubChem CID 11120125) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is [4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol.

Molecular Properties

Compound Name[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol
PubChem CID11120125
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol
SMILESCc1cc(C)nc(N2CCN(c3ccnc(CO)n3)CC2)n1
InChIInChI=1S/C15H20N6O/c1-11-9-12(2)18-15(17-11)21-7-5-20(6-8-21)14-3-4-16-13(10-22)19-14/h3-4,9,22H,5-8,10H2,1-2H3
InChIKeyKXEHNZFYMZBSFZ-UHFFFAOYSA-N
XLogP0.70
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol?
The IUPAC name of [4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol (CID 11120125) is [4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol.
What is the SMILES notation for [4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol?
The canonical SMILES for [4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol is Cc1cc(C)nc(N2CCN(c3ccnc(CO)n3)CC2)n1.
What is the InChIKey of [4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol?
The InChIKey is KXEHNZFYMZBSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11-9-12(2)18-15(17-11)21-7-5-20(6-8-21)14-3-4-16-13(10-22)19-14/h3-4,9,22H,5-8,10H2,1-2H3.
What are the key properties of [4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol?
[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol has a molecular weight of 300.37 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]pyrimidin-2-yl]methanol is sourced from PubChem (CID 11120125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).