[2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol

C15H20N6O2 — CID 142019378

IUPAC[2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol
SMILESCc1cc(CO)nc(N2CCN(c3ccnc(CO)n3)CC2)n1
InChIInChI=1S/C15H20N6O2/c1-11-8-12(9-22)18-15(17-11)21-6-4-20(5-7-21)14-2-3-16-13(10-23)19-14/h2-3,8,22-23H,4-7,9-10H2,1H3
InChIKeyMSASSHACXZQPGL-UHFFFAOYSA-N
MW316.37 g/mol
LogP-0.11
Rot. Bonds4

About [2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol

[2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol (PubChem CID 142019378) has the molecular formula C15H20N6O2 and a molecular weight of 316.37 g/mol. Its IUPAC name is [2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol
PubChem CID142019378
Molecular FormulaC15H20N6O2
Molecular Weight316.37 g/mol
Exact Mass316.16
IUPAC Name[2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol
SMILESCc1cc(CO)nc(N2CCN(c3ccnc(CO)n3)CC2)n1
InChIInChI=1S/C15H20N6O2/c1-11-8-12(9-22)18-15(17-11)21-6-4-20(5-7-21)14-2-3-16-13(10-23)19-14/h2-3,8,22-23H,4-7,9-10H2,1H3
InChIKeyMSASSHACXZQPGL-UHFFFAOYSA-N
XLogP-0.11
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[4-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-2-yl]methanol
CID 10869424
N-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 166225722
(1R)-1-[4-[(2R)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 10980854
(1R)-1-[4-[(2S)-4-[4-(hydroxymethyl)-6-methylpyrimidin-2-yl]-2-methylpiperazin-1-yl]pyrimidin-2-yl]ethanol
CID 11046187
[6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-yl]methanamine
CID 107541514
[4-[3,5-dimethyl-4-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]pyrimidin-2-yl]methanol
CID 142019428
[4-(azetidin-1-yl)-6-methylpyrimidin-2-yl]methanol
CID 130978683
[6-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyridinyl]methanol
CID 62253382
2-[2-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methylamino]-4-pyridinyl]ethanol
CID 155954179
[2-(3-methoxy-4-methylpiperidin-1-yl)-6-methylpyrimidin-4-yl]methanol
CID 114219929
[2-(azocan-1-yl)-6-methylpyrimidin-4-yl]methanamine
CID 107541533
4-(chloromethyl)-6-methyl-2-pyrrolidin-1-ylpyrimidine
CID 62745550

Frequently Asked Questions

What is the IUPAC name of [2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol?
The IUPAC name of [2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol (CID 142019378) is [2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol.
What is the SMILES notation for [2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol?
The canonical SMILES for [2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol is Cc1cc(CO)nc(N2CCN(c3ccnc(CO)n3)CC2)n1.
What is the InChIKey of [2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol?
The InChIKey is MSASSHACXZQPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2/c1-11-8-12(9-22)18-15(17-11)21-6-4-20(5-7-21)14-2-3-16-13(10-23)19-14/h2-3,8,22-23H,4-7,9-10H2,1H3.
What are the key properties of [2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol?
[2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol has a molecular weight of 316.37 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[2-(hydroxymethyl)pyrimidin-4-yl]piperazin-1-yl]-6-methylpyrimidin-4-yl]methanol is sourced from PubChem (CID 142019378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).