1-methyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea

C8H15N5O2 — CID 59876259

IUPAC1-methyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea
SMILESCNC(=O)NC1=NCC(C)(NC)C(=O)N1
InChIInChI=1S/C8H15N5O2/c1-8(10-3)4-11-6(12-5(8)14)13-7(15)9-2/h10H,4H2,1-3H3,(H3,9,11,12,13,14,15)
InChIKeyOVDZFSDXLZTAQB-UHFFFAOYSA-N
MW213.24 g/mol
LogP-1.62
Rot. Bonds1

About 1-methyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea

1-methyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea (PubChem CID 59876259) has the molecular formula C8H15N5O2 and a molecular weight of 213.24 g/mol. Its IUPAC name is 1-methyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea.

Molecular Properties

Compound Name1-methyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea
PubChem CID59876259
Molecular FormulaC8H15N5O2
Molecular Weight213.24 g/mol
Exact Mass213.12
IUPAC Name1-methyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea
SMILESCNC(=O)NC1=NCC(C)(NC)C(=O)N1
InChIInChI=1S/C8H15N5O2/c1-8(10-3)4-11-6(12-5(8)14)13-7(15)9-2/h10H,4H2,1-3H3,(H3,9,11,12,13,14,15)
InChIKeyOVDZFSDXLZTAQB-UHFFFAOYSA-N
XLogP-1.62
TPSA94.62 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-1.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea?
The IUPAC name of 1-methyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea (CID 59876259) is 1-methyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea.
What is the SMILES notation for 1-methyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea?
The canonical SMILES for 1-methyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea is CNC(=O)NC1=NCC(C)(NC)C(=O)N1.
What is the InChIKey of 1-methyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea?
The InChIKey is OVDZFSDXLZTAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O2/c1-8(10-3)4-11-6(12-5(8)14)13-7(15)9-2/h10H,4H2,1-3H3,(H3,9,11,12,13,14,15).
What are the key properties of 1-methyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea?
1-methyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea has a molecular weight of 213.24 g/mol, XLogP of -1.62, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea is sourced from PubChem (CID 59876259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).