4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one

C11H14N4O — CID 22294536

IUPAC4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one
SMILESCc1ccccc1NC1(N)C=CNC(=O)N1
InChIInChI=1S/C11H14N4O/c1-8-4-2-3-5-9(8)14-11(12)6-7-13-10(16)15-11/h2-7,14H,12H2,1H3,(H2,13,15,16)
InChIKeyWQXYDHMHDFCIFG-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.85
Rot. Bonds2

About 4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one

4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one (PubChem CID 22294536) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one
PubChem CID22294536
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one
SMILESCc1ccccc1NC1(N)C=CNC(=O)N1
InChIInChI=1S/C11H14N4O/c1-8-4-2-3-5-9(8)14-11(12)6-7-13-10(16)15-11/h2-7,14H,12H2,1H3,(H2,13,15,16)
InChIKeyWQXYDHMHDFCIFG-UHFFFAOYSA-N
XLogP0.85
TPSA79.18 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylanilino)-2-phenylindene-1,3-dione
CID 827717
N-[1-(aminomethyl)cyclopropyl]-2-methylaniline
CID 106661294
2-(2-methylanilino)-1,3-dihydroindene-2-carboxamide
CID 61006409
N,2-dimethylaniline
CID 163768915
(2-methylphenyl)urea;phosphane
CID 175888509
2-methyl-1-(2-methylanilino)cyclopentane-1-carboxamide
CID 65045334
(6E)-6-[(2-methylphenyl)hydrazinylidene]-1,3-diazinane-2,4-dione
CID 136951403
3-(2-methylanilino)piperidine-3-carboxamide
CID 79308355
3-(aminomethyl)-N-(2-methylphenyl)-1,1-dioxothian-3-amine
CID 65376337
N-(2-methylphenyl)adamantan-1-amine
CID 68755177
2,2-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
CID 79856688
3,3-dimethyl-1-(2-methylanilino)cyclopentane-1-carboxamide
CID 80705798

Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one?
The IUPAC name of 4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one (CID 22294536) is 4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one.
What is the SMILES notation for 4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one?
The canonical SMILES for 4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one is Cc1ccccc1NC1(N)C=CNC(=O)N1.
What is the InChIKey of 4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one?
The InChIKey is WQXYDHMHDFCIFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8-4-2-3-5-9(8)14-11(12)6-7-13-10(16)15-11/h2-7,14H,12H2,1H3,(H2,13,15,16).
What are the key properties of 4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one?
4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one has a molecular weight of 218.26 g/mol, XLogP of 0.85, 2 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2-methylanilino)-1,3-dihydropyrimidin-2-one is sourced from PubChem (CID 22294536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).