5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

C9H14N4O2 — CID 144953512

IUPAC5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCC1CN(c2c[nH]c(=O)[nH]c2=O)CCN1
InChIInChI=1S/C9H14N4O2/c1-6-5-13(3-2-10-6)7-4-11-9(15)12-8(7)14/h4,6,10H,2-3,5H2,1H3,(H2,11,12,14,15)
InChIKeyPRLRLNHBBCUWKU-UHFFFAOYSA-N
MW210.24 g/mol
LogP-1.14
Rot. Bonds1

About 5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione

5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (PubChem CID 144953512) has the molecular formula C9H14N4O2 and a molecular weight of 210.24 g/mol. Its IUPAC name is 5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
PubChem CID144953512
Molecular FormulaC9H14N4O2
Molecular Weight210.24 g/mol
Exact Mass210.11
IUPAC Name5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
SMILESCC1CN(c2c[nH]c(=O)[nH]c2=O)CCN1
InChIInChI=1S/C9H14N4O2/c1-6-5-13(3-2-10-6)7-4-11-9(15)12-8(7)14/h4,6,10H,2-3,5H2,1H3,(H2,11,12,14,15)
InChIKeyPRLRLNHBBCUWKU-UHFFFAOYSA-N
XLogP-1.14
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione (CID 144953512) is 5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is CC1CN(c2c[nH]c(=O)[nH]c2=O)CCN1.
What is the InChIKey of 5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
The InChIKey is PRLRLNHBBCUWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O2/c1-6-5-13(3-2-10-6)7-4-11-9(15)12-8(7)14/h4,6,10H,2-3,5H2,1H3,(H2,11,12,14,15).
What are the key properties of 5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione?
5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione has a molecular weight of 210.24 g/mol, XLogP of -1.14, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 144953512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).