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

C19H19N5O — CID 145184739

IUPAC5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
SMILES[H]/N=C(\c1ccc(Oc2ccc(CC)cc2)cc1)c1c(N)ncnc1N
InChIInChI=1S/C19H19N5O/c1-2-12-3-7-14(8-4-12)25-15-9-5-13(6-10-15)17(20)16-18(21)23-11-24-19(16)22/h3-11,20H,2H2,1H3,(H4,21,22,23,24)/b20-17+
InChIKeyUPPPQDLRLWEMFW-LVZFUZTISA-N
MW333.40 g/mol
LogP3.41
Rot. Bonds5

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

5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine (PubChem CID 145184739) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
PubChem CID145184739
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
SMILES[H]/N=C(\c1ccc(Oc2ccc(CC)cc2)cc1)c1c(N)ncnc1N
InChIInChI=1S/C19H19N5O/c1-2-12-3-7-14(8-4-12)25-15-9-5-13(6-10-15)17(20)16-18(21)23-11-24-19(16)22/h3-11,20H,2H2,1H3,(H4,21,22,23,24)/b20-17+
InChIKeyUPPPQDLRLWEMFW-LVZFUZTISA-N
XLogP3.41
TPSA110.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.41
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

5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184743
5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184725
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
methyl 4-(4-ethylphenoxy)benzenecarboximidate
CID 95464155
(E)-N-[4-[6-amino-5-(4-phenoxybenzenecarboximidoyl)pyrimidin-4-yl]butyl]but-2-enamide
CID 163702440
4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
CID 143074013
(Z)-3-bromo-1-piperidin-1-ylprop-2-en-1-one;5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
CID 145161415
5-[4-(4-methoxyphenoxy)benzenecarboximidoyl]-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 145184698
4-N-(1-butan-2-ylpiperidin-4-yl)-5-[4-[4-(trifluoromethyl)phenoxy]benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 170070694
4-N-[1-[(1-methylpiperidin-4-yl)methyl]piperidin-4-yl]-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
CID 167479973
4-N-[1-(azetidin-3-ylmethyl)piperidin-4-yl]-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine;ethane
CID 167480287

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine (CID 145184739) is 5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine is [H]/N=C(\c1ccc(Oc2ccc(CC)cc2)cc1)c1c(N)ncnc1N.
What is the InChIKey of 5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine?
The InChIKey is UPPPQDLRLWEMFW-LVZFUZTISA-N. The full InChI is InChI=1S/C19H19N5O/c1-2-12-3-7-14(8-4-12)25-15-9-5-13(6-10-15)17(20)16-18(21)23-11-24-19(16)22/h3-11,20H,2H2,1H3,(H4,21,22,23,24)/b20-17+.
What are the key properties of 5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine?
5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine has a molecular weight of 333.40 g/mol, XLogP of 3.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 145184739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).