5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine

C19H19N5O3 — CID 145184743

IUPAC5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
SMILES[H]/N=C(\c1ccc(Oc2ccc(OC)c(OC)c2)cc1)c1c(N)ncnc1N
InChIInChI=1S/C19H19N5O3/c1-25-14-8-7-13(9-15(14)26-2)27-12-5-3-11(4-6-12)17(20)16-18(21)23-10-24-19(16)22/h3-10,20H,1-2H3,(H4,21,22,23,24)/b20-17+
InChIKeySTHGAEOCURSSIF-LVZFUZTISA-N
MW365.39 g/mol
LogP2.87
Rot. Bonds6

About 5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine

5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine (PubChem CID 145184743) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
PubChem CID145184743
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
SMILES[H]/N=C(\c1ccc(Oc2ccc(OC)c(OC)c2)cc1)c1c(N)ncnc1N
InChIInChI=1S/C19H19N5O3/c1-25-14-8-7-13(9-15(14)26-2)27-12-5-3-11(4-6-12)17(20)16-18(21)23-10-24-19(16)22/h3-10,20H,1-2H3,(H4,21,22,23,24)/b20-17+
InChIKeySTHGAEOCURSSIF-LVZFUZTISA-N
XLogP2.87
TPSA129.36 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184725
5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184739
5-[4-(4-methoxyphenoxy)benzenecarboximidoyl]-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 145184698
5-[4-(difluoromethoxy)-3-fluorobenzenecarboximidoyl]pyrimidine-4,6-diamine
CID 123591076
4-[[6-amino-5-[4-(2-fluoro-3-methoxyphenoxy)benzenecarboximidoyl]pyrimidin-4-yl]amino]cyclohexane-1,2-diol
CID 155003496
4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
CID 143074013
4-N-(2-methoxy-5-phenylphenyl)-5-(naphthalene-2-carboximidoyl)pyrimidine-4,6-diamine
CID 145388019
(Z)-3-bromo-1-piperidin-1-ylprop-2-en-1-one;5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
CID 145161415
N-[2-[[6-amino-5-(4-phenoxybenzenecarboximidoyl)pyrimidin-4-yl]amino]ethyl]propanamide
CID 145487033
4-N-tert-butyl-5-[4-(trifluoromethoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 147808602
(E)-N-[4-[6-amino-5-(4-phenoxybenzenecarboximidoyl)pyrimidin-4-yl]butyl]but-2-enamide
CID 163702440
2-[2-[4-(3,4-dimethoxyphenoxy)phenyl]-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboximidamide;trihydrochloride
CID 42631062

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine (CID 145184743) is 5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine is [H]/N=C(\c1ccc(Oc2ccc(OC)c(OC)c2)cc1)c1c(N)ncnc1N.
What is the InChIKey of 5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine?
The InChIKey is STHGAEOCURSSIF-LVZFUZTISA-N. The full InChI is InChI=1S/C19H19N5O3/c1-25-14-8-7-13(9-15(14)26-2)27-12-5-3-11(4-6-12)17(20)16-18(21)23-10-24-19(16)22/h3-10,20H,1-2H3,(H4,21,22,23,24)/b20-17+.
What are the key properties of 5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine?
5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine has a molecular weight of 365.39 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 145184743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).