4-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine

C13H15N5O — CID 5350050

IUPAC4-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(/C=N/Nc2cc(C)nc(N)n2)cc1
InChIInChI=1S/C13H15N5O/c1-9-7-12(17-13(14)16-9)18-15-8-10-3-5-11(19-2)6-4-10/h3-8H,1-2H3,(H3,14,16,17,18)/b15-8+
InChIKeyBDQUBICMZUGFAL-OVCLIPMQSA-N
MW257.30 g/mol
LogP1.82
Rot. Bonds4

About 4-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine

4-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine (PubChem CID 5350050) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 4-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine
PubChem CID5350050
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name4-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(/C=N/Nc2cc(C)nc(N)n2)cc1
InChIInChI=1S/C13H15N5O/c1-9-7-12(17-13(14)16-9)18-15-8-10-3-5-11(19-2)6-4-10/h3-8H,1-2H3,(H3,14,16,17,18)/b15-8+
InChIKeyBDQUBICMZUGFAL-OVCLIPMQSA-N
XLogP1.82
TPSA85.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
2-Hydrazinyl-6-(4-methoxyphenyl)pyrimidine-4-carbonitrile
CID 1414694
(4,6-Dimethyl-pyrimidin-2-yl)-(4-methoxy-benzyl)-cyanamide
CID 3152233
1-(4-Methoxyphenyl)ethanone (4-methyl-6-phenyl-2-pyrimidinyl)hydrazone
CID 5332849
4-Methoxybenzaldehyde [2,6-bis(dimethylamino)-4-pyrimidinyl]hydrazone
CID 9586074
4-{4-[(2E)-2-(4-methoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9609361
N-[(E)-1-[4-(difluoromethoxy)phenyl]ethylideneamino]pyridin-2-amine
CID 9627014
4-{4-[(2E)-2-(2,5-dimethoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9655300
4-{4-[(2E)-2-(2,4-dimethoxybenzylidene)hydrazinyl]-6-methylpyrimidin-2-yl}morpholine
CID 9665138

Frequently Asked Questions

What is the IUPAC name of 4-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine (CID 5350050) is 4-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine is COc1ccc(/C=N/Nc2cc(C)nc(N)n2)cc1.
What is the InChIKey of 4-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine?
The InChIKey is BDQUBICMZUGFAL-OVCLIPMQSA-N. The full InChI is InChI=1S/C13H15N5O/c1-9-7-12(17-13(14)16-9)18-15-8-10-3-5-11(19-2)6-4-10/h3-8H,1-2H3,(H3,14,16,17,18)/b15-8+.
What are the key properties of 4-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine?
4-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine has a molecular weight of 257.30 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(E)-(4-methoxyphenyl)methylideneamino]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 5350050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).