4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one

C10H16N4O3 — CID 57205020

IUPAC4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1c(O)nc(N2CCNCC2C)[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-6-5-11-3-4-14(6)10-12-8(15)7(17-2)9(16)13-10/h6,11H,3-5H2,1-2H3,(H2,12,13,15,16)
InChIKeyVWPBFAHRHJHRBW-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.72
Rot. Bonds2

About 4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one

4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one (PubChem CID 57205020) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
PubChem CID57205020
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
SMILESCOc1c(O)nc(N2CCNCC2C)[nH]c1=O
InChIInChI=1S/C10H16N4O3/c1-6-5-11-3-4-14(6)10-12-8(15)7(17-2)9(16)13-10/h6,11H,3-5H2,1-2H3,(H2,12,13,15,16)
InChIKeyVWPBFAHRHJHRBW-UHFFFAOYSA-N
XLogP-0.72
TPSA90.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethoxy-4-hydroxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 57238367
4-hydroxy-5-methoxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 13636850
5-ethoxy-4-hydroxy-2-(4-methylpiperazin-1-yl)-1H-pyrimidin-6-one
CID 24845099
5-methoxy-4-(morpholin-3-ylmethylamino)-1H-pyrimidin-6-one
CID 136706915
5-methoxy-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805293
4-[ethyl(piperidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136805302
5-methoxy-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805310
5-methoxy-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805317
5-methoxy-4-[(3S)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136842966
4-[2-[butan-2-yl(methyl)amino]ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136870186
4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
CID 136873259
5-methoxy-4-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidin-6-one
CID 136879303

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one (CID 57205020) is 4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one is COc1c(O)nc(N2CCNCC2C)[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is VWPBFAHRHJHRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-6-5-11-3-4-14(6)10-12-8(15)7(17-2)9(16)13-10/h6,11H,3-5H2,1-2H3,(H2,12,13,15,16).
What are the key properties of 4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one?
4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 240.26 g/mol, XLogP of -0.72, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-methoxy-2-(2-methylpiperazin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 57205020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).