[amino-(naphthalen-1-ylamino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium

C16H16N5O+ — CID 135463316

IUPAC[amino-(naphthalen-1-ylamino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium
SMILESCc1cc(=O)[nH]c([NH+]=C(N)Nc2cccc3ccccc23)n1
InChIInChI=1S/C16H15N5O/c1-10-9-14(22)20-16(18-10)21-15(17)19-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H4,17,18,19,20,21,22)/p+1
InChIKeyPVPGTXRVDLUENJ-UHFFFAOYSA-O
MW294.34 g/mol
LogP0.37
Rot. Bonds2

About [amino-(naphthalen-1-ylamino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium

[amino-(naphthalen-1-ylamino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium (PubChem CID 135463316) has the molecular formula C16H16N5O+ and a molecular weight of 294.34 g/mol. Its IUPAC name is [amino-(naphthalen-1-ylamino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium.

Molecular Properties

Compound Name[amino-(naphthalen-1-ylamino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium
PubChem CID135463316
Molecular FormulaC16H16N5O+
Molecular Weight294.34 g/mol
Exact Mass294.13
IUPAC Name[amino-(naphthalen-1-ylamino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium
SMILESCc1cc(=O)[nH]c([NH+]=C(N)Nc2cccc3ccccc23)n1
InChIInChI=1S/C16H15N5O/c1-10-9-14(22)20-16(18-10)21-15(17)19-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H4,17,18,19,20,21,22)/p+1
InChIKeyPVPGTXRVDLUENJ-UHFFFAOYSA-O
XLogP0.37
TPSA97.77 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 50.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

[amino-(4-chloroanilino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium
CID 135708314
(2S)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135853442
2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-naphthalen-1-ylpropanamide
CID 135459282
[amino-(2-methylanilino)methylidene]-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-6-oxo-1H-pyrimidin-2-yl]azanium
CID 135797972
[amino(anilino)methylidene]-[4-(2-methoxy-2-oxoethyl)-6-oxo-1H-pyrimidin-2-yl]azanium
CID 135500238
[amino-(2,6-difluoroanilino)methylidene]-[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]azanium
CID 135583543
naphthalen-1-ylurea;hydrochloride
CID 141142203
1-(4,6-dimethyl-2-pyridinyl)-3-naphthalen-1-ylthiourea
CID 971924
N,N'-dinaphthalen-1-ylbutanediamide
CID 1346643
2-[(6-methyl-2-oxo-1H-pyrimidin-4-yl)sulfanyl]-N-naphthalen-1-ylacetamide
CID 7183983
2-[[2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzamide
CID 135418814
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-naphthalen-1-ylpropanamide
CID 851328

Frequently Asked Questions

What is the IUPAC name of [amino-(naphthalen-1-ylamino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium?
The IUPAC name of [amino-(naphthalen-1-ylamino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium (CID 135463316) is [amino-(naphthalen-1-ylamino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium.
What is the SMILES notation for [amino-(naphthalen-1-ylamino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium?
The canonical SMILES for [amino-(naphthalen-1-ylamino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium is Cc1cc(=O)[nH]c([NH+]=C(N)Nc2cccc3ccccc23)n1.
What is the InChIKey of [amino-(naphthalen-1-ylamino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium?
The InChIKey is PVPGTXRVDLUENJ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H15N5O/c1-10-9-14(22)20-16(18-10)21-15(17)19-13-8-4-6-11-5-2-3-7-12(11)13/h2-9H,1H3,(H4,17,18,19,20,21,22)/p+1.
What are the key properties of [amino-(naphthalen-1-ylamino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium?
[amino-(naphthalen-1-ylamino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium has a molecular weight of 294.34 g/mol, XLogP of 0.37, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [amino-(naphthalen-1-ylamino)methylidene]-(4-methyl-6-oxo-1H-pyrimidin-2-yl)azanium is sourced from PubChem (CID 135463316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).