4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one

C14H23N5O2 — CID 133464720

IUPAC4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCC(O)CCN(C)c1cc(N2CCN(C)C(=O)C2)ncn1
InChIInChI=1S/C14H23N5O2/c1-11(20)4-5-17(2)12-8-13(16-10-15-12)19-7-6-18(3)14(21)9-19/h8,10-11,20H,4-7,9H2,1-3H3
InChIKeyDSSSBWQYWOXYPN-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.04
Rot. Bonds5

About 4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one

4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one (PubChem CID 133464720) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one.

Molecular Properties

Compound Name4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
PubChem CID133464720
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
SMILESCC(O)CCN(C)c1cc(N2CCN(C)C(=O)C2)ncn1
InChIInChI=1S/C14H23N5O2/c1-11(20)4-5-17(2)12-8-13(16-10-15-12)19-7-6-18(3)14(21)9-19/h8,10-11,20H,4-7,9H2,1-3H3
InChIKeyDSSSBWQYWOXYPN-UHFFFAOYSA-N
XLogP-0.04
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[6-[3-methoxypropyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464184
4-[[methyl-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzonitrile
CID 133489434
4-[6-[(3S)-3-hydroxypyrrolidin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464424
4-[6-(1-hydroxypropan-2-ylamino)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464744
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
1-[methyl-(6-piperidin-1-ylpyrimidin-4-yl)amino]propan-2-ol
CID 86818325
4-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]butan-2-ol
CID 115658287
2-[1-[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]piperidin-3-yl]acetamide
CID 133490381
1-[6-[methyl(2-methylpropyl)amino]pyrimidin-4-yl]piperidin-3-one
CID 115265287
(2S)-4-methyl-2-[[6-(4-methyl-3-oxopiperazin-1-yl)pyrimidin-4-yl]amino]pentanoic acid
CID 122050080
4-[6-[[(2R)-1-methoxypropan-2-yl]amino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 90453878
4-[6-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 138033398

Frequently Asked Questions

What is the IUPAC name of 4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The IUPAC name of 4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one (CID 133464720) is 4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one.
What is the SMILES notation for 4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The canonical SMILES for 4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one is CC(O)CCN(C)c1cc(N2CCN(C)C(=O)C2)ncn1.
What is the InChIKey of 4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
The InChIKey is DSSSBWQYWOXYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-11(20)4-5-17(2)12-8-13(16-10-15-12)19-7-6-18(3)14(21)9-19/h8,10-11,20H,4-7,9H2,1-3H3.
What are the key properties of 4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one?
4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one has a molecular weight of 293.37 g/mol, XLogP of -0.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[3-hydroxybutyl(methyl)amino]pyrimidin-4-yl]-1-methylpiperazin-2-one is sourced from PubChem (CID 133464720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).