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

C18H17N5O2 — CID 145184725

IUPAC5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
SMILES[H]/N=C(\c1ccc(Oc2cccc(OC)c2)cc1)c1c(N)ncnc1N
InChIInChI=1S/C18H17N5O2/c1-24-13-3-2-4-14(9-13)25-12-7-5-11(6-8-12)16(19)15-17(20)22-10-23-18(15)21/h2-10,19H,1H3,(H4,20,21,22,23)/b19-16+
InChIKeyKLMKORYWXILDPE-KNTRCKAVSA-N
MW335.37 g/mol
LogP2.86
Rot. Bonds5

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

5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine (PubChem CID 145184725) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is 5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
PubChem CID145184725
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC Name5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
SMILES[H]/N=C(\c1ccc(Oc2cccc(OC)c2)cc1)c1c(N)ncnc1N
InChIInChI=1S/C18H17N5O2/c1-24-13-3-2-4-14(9-13)25-12-7-5-11(6-8-12)16(19)15-17(20)22-10-23-18(15)21/h2-10,19H,1H3,(H4,20,21,22,23)/b19-16+
InChIKeyKLMKORYWXILDPE-KNTRCKAVSA-N
XLogP2.86
TPSA120.13 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(3,4-dimethoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184743
5-[4-(4-ethylphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184739
4-N-cyclohexyl-5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
CID 143074013
5-[4-(4-methoxyphenoxy)benzenecarboximidoyl]-4-N-piperidin-3-ylpyrimidine-4,6-diamine
CID 145184698
1-methoxy-3-[4-[4-(3-methoxyphenoxy)phenoxy]phenoxy]benzene
CID 139804491
N-[2-[[6-amino-5-(4-phenoxybenzenecarboximidoyl)pyrimidin-4-yl]amino]ethyl]propanamide
CID 145487033
(Z)-3-bromo-1-piperidin-1-ylprop-2-en-1-one;5-(4-phenoxybenzenecarboximidoyl)pyrimidine-4,6-diamine
CID 145161415
5-(4-phenoxybenzenecarboximidoyl)-4-N-piperidin-4-ylpyrimidine-4,6-diamine
CID 145124668
(E)-N-[4-[6-amino-5-(4-phenoxybenzenecarboximidoyl)pyrimidin-4-yl]butyl]but-2-enamide
CID 163702440
3-(4-methoxybenzenecarboximidoyl)pyridin-2-amine
CID 87796835
4-[[6-amino-5-[4-(2-fluoro-3-methoxyphenoxy)benzenecarboximidoyl]pyrimidin-4-yl]amino]cyclohexane-1,2-diol
CID 155003496
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-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine (CID 145184725) is 5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine is [H]/N=C(\c1ccc(Oc2cccc(OC)c2)cc1)c1c(N)ncnc1N.
What is the InChIKey of 5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine?
The InChIKey is KLMKORYWXILDPE-KNTRCKAVSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-24-13-3-2-4-14(9-13)25-12-7-5-11(6-8-12)16(19)15-17(20)22-10-23-18(15)21/h2-10,19H,1H3,(H4,20,21,22,23)/b19-16+.
What are the key properties of 5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine?
5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine has a molecular weight of 335.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 145184725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).