2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one

C11H11N5O2 — CID 135408670

IUPAC2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one
SMILESCc1ccccc1Nc1nc(N)[nH]c(=O)c1N=O
InChIInChI=1S/C11H11N5O2/c1-6-4-2-3-5-7(6)13-9-8(16-18)10(17)15-11(12)14-9/h2-5H,1H3,(H4,12,13,14,15,17)
InChIKeyFTBNJWZVDJCZKP-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.80
Rot. Bonds3

About 2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one

2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one (PubChem CID 135408670) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one
PubChem CID135408670
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one
SMILESCc1ccccc1Nc1nc(N)[nH]c(=O)c1N=O
InChIInChI=1S/C11H11N5O2/c1-6-4-2-3-5-7(6)13-9-8(16-18)10(17)15-11(12)14-9/h2-5H,1H3,(H4,12,13,14,15,17)
InChIKeyFTBNJWZVDJCZKP-UHFFFAOYSA-N
XLogP1.80
TPSA113.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-[(2-methylphenyl)amino]pyrimidin-4(3H)-one
CID 135454332
6-methyl-3-[(2-methylphenyl)amino]-1,2,4-triazin-5(4H)-one
CID 135412275
2-(4-butylanilino)-6-propyl-1H-pyrimidin-4-one
CID 135509364
N-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)phenyl]acetamide
CID 136245108
2-Amino-5-nitroso-6-(4-toluidino)-4-pyrimidinol
CID 135408648
2-Amino-5-ethyl-6-(o-tolylamino)pyrimidin-4(1H)-one
CID 135408562
(4Z)-2-anilino-4-benzylidene-1H-imidazol-5-one
CID 135604653
5-Nitroso-6-(4-toluidino)-2,4-pyrimidinediol
CID 244812
6-(2-Methylanilino)pyrimidine-2,4(1H,3H)-dione
CID 309877
methyl {2-[N'-(2-methylphenyl)carbamimidamido]-6-oxo-1,6-dihydropyrimidin-4-yl}acetate
CID 135473403
N-(6-methyl-4-oxo-1,4-dihydro-2-pyrimidinyl)-N''-(3-methylphenyl)guanidine
CID 135433339
methyl 2-[2-[[amino-(2-methylanilino)methylidene]amino]-6-oxo-1H-pyrimidin-4-yl]acetate
CID 135438689

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one (CID 135408670) is 2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one is Cc1ccccc1Nc1nc(N)[nH]c(=O)c1N=O.
What is the InChIKey of 2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is FTBNJWZVDJCZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-6-4-2-3-5-7(6)13-9-8(16-18)10(17)15-11(12)14-9/h2-5H,1H3,(H4,12,13,14,15,17).
What are the key properties of 2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one?
2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 245.24 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylanilino)-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 135408670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).