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

C9H17N5O2 — CID 59876257

IUPAC1,1-dimethyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea
SMILESCNC1(C)CN=C(NC(=O)N(C)C)NC1=O
InChIInChI=1S/C9H17N5O2/c1-9(10-2)5-11-7(12-6(9)15)13-8(16)14(3)4/h10H,5H2,1-4H3,(H2,11,12,13,15,16)
InChIKeyRQPUSMISRFHAPY-UHFFFAOYSA-N
MW227.27 g/mol
LogP-1.28
Rot. Bonds1

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

1,1-dimethyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea (PubChem CID 59876257) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 1,1-dimethyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea
PubChem CID59876257
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name1,1-dimethyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea
SMILESCNC1(C)CN=C(NC(=O)N(C)C)NC1=O
InChIInChI=1S/C9H17N5O2/c1-9(10-2)5-11-7(12-6(9)15)13-8(16)14(3)4/h10H,5H2,1-4H3,(H2,11,12,13,15,16)
InChIKeyRQPUSMISRFHAPY-UHFFFAOYSA-N
XLogP-1.28
TPSA85.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-1.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea?
The IUPAC name of 1,1-dimethyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea (CID 59876257) is 1,1-dimethyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea?
The canonical SMILES for 1,1-dimethyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea is CNC1(C)CN=C(NC(=O)N(C)C)NC1=O.
What is the InChIKey of 1,1-dimethyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea?
The InChIKey is RQPUSMISRFHAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-9(10-2)5-11-7(12-6(9)15)13-8(16)14(3)4/h10H,5H2,1-4H3,(H2,11,12,13,15,16).
What are the key properties of 1,1-dimethyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea?
1,1-dimethyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea has a molecular weight of 227.27 g/mol, XLogP of -1.28, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[5-methyl-5-(methylamino)-6-oxo-1,4-dihydropyrimidin-2-yl]urea is sourced from PubChem (CID 59876257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).