4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine

C28H23N5O — CID 145388019

IUPAC4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine
SMILES[H]/N=C(\c1ccc2ccccc2c1)c1c(N)ncnc1Nc1cc(-c2ccccc2)ccc1OC
InChIInChI=1S/C28H23N5O/c1-34-24-14-13-21(18-7-3-2-4-8-18)16-23(24)33-28-25(27(30)31-17-32-28)26(29)22-12-11-19-9-5-6-10-20(19)15-22/h2-17,29H,1H3,(H3,30,31,32,33)/b29-26+
InChIKeyYHSBNULDFROZHE-PBBVDAKRSA-N
MW445.53 g/mol
LogP6.05
Rot. Bonds6

About 4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine

4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine (PubChem CID 145388019) has the molecular formula C28H23N5O and a molecular weight of 445.53 g/mol. Its IUPAC name is 4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine
PubChem CID145388019
Molecular FormulaC28H23N5O
Molecular Weight445.53 g/mol
Exact Mass445.19
IUPAC Name4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine
SMILES[H]/N=C(\c1ccc2ccccc2c1)c1c(N)ncnc1Nc1cc(-c2ccccc2)ccc1OC
InChIInChI=1S/C28H23N5O/c1-34-24-14-13-21(18-7-3-2-4-8-18)16-23(24)33-28-25(27(30)31-17-32-28)26(29)22-12-11-19-9-5-6-10-20(19)15-22/h2-17,29H,1H3,(H3,30,31,32,33)/b29-26+
InChIKeyYHSBNULDFROZHE-PBBVDAKRSA-N
XLogP6.05
TPSA96.91 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.53
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-(5-cyclohexyl-2-methoxyphenyl)-5-(thiophene-3-carboximidoyl)pyrimidine-4,6-diamine
CID 145388025
4-[4-amino-6-[2-[ethenyl(phenylsulfanyl)amino]ethylamino]pyrimidine-5-carboximidoyl]-2-methoxyphenol
CID 144842458
4-N-(6-methoxy-1H-indazol-5-yl)-5-(pyridine-4-carboximidoyl)pyrimidine-4,6-diamine
CID 131967732
5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184743
N-[2-[[6-amino-5-(3-hydroxy-4-methoxybenzenecarboximidoyl)pyrimidin-4-yl]amino]ethyl]-2-cyano-N-phenylprop-2-enamide
CID 144842510
5-[4-amino-6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-5-carboximidoyl]-2-prop-2-enoxyphenol
CID 144832344
5-(6-ethoxynaphthalene-2-carboximidoyl)-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 145130112
1-[[6-amino-5-(6-ethoxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 145130159
5-[4-amino-6-(methylamino)pyrimidine-5-carboximidoyl]-2-fluorophenol
CID 122448670
1-[[6-amino-5-(6-cyclopropyloxynaphthalene-2-carboximidoyl)pyrimidin-4-yl]amino]-2-methylpropan-2-ol
CID 145130100
4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
CID 143074013
5-(2-aminoquinazoline-6-carboximidoyl)-4-N-[(2-phenylquinolin-3-yl)methyl]pyrimidine-4,6-diamine
CID 90810627

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine (CID 145388019) is 4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine is [H]/N=C(\c1ccc2ccccc2c1)c1c(N)ncnc1Nc1cc(-c2ccccc2)ccc1OC.
What is the InChIKey of 4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine?
The InChIKey is YHSBNULDFROZHE-PBBVDAKRSA-N. The full InChI is InChI=1S/C28H23N5O/c1-34-24-14-13-21(18-7-3-2-4-8-18)16-23(24)33-28-25(27(30)31-17-32-28)26(29)22-12-11-19-9-5-6-10-20(19)15-22/h2-17,29H,1H3,(H3,30,31,32,33)/b29-26+.
What are the key properties of 4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine?
4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine has a molecular weight of 445.53 g/mol, XLogP of 6.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 145388019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).