6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine

C14H18N4O — CID 112869526

IUPAC6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCOCCNc1cc(Nc2ccccc2)nc(C)n1
InChIInChI=1S/C14H18N4O/c1-11-16-13(15-8-9-19-2)10-14(17-11)18-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyGAIPMYWSOAAOAS-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.59
Rot. Bonds6

About 6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine

6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine (PubChem CID 112869526) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine
PubChem CID112869526
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine
SMILESCOCCNc1cc(Nc2ccccc2)nc(C)n1
InChIInChI=1S/C14H18N4O/c1-11-16-13(15-8-9-19-2)10-14(17-11)18-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyGAIPMYWSOAAOAS-UHFFFAOYSA-N
XLogP2.59
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112869597
4-N-(4-bromophenyl)-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869563
4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112869509
6-N-[2-(4-methoxyphenyl)ethyl]-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112874289
4-N-(2-tert-butylphenyl)-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869548
2-methyl-6-N-pentyl-4-N-phenylpyrimidine-4,6-diamine
CID 112876247
4-[[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193213
4-N-(1,3-benzodioxol-5-yl)-6-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869604
6-hydrazinyl-N-(2-methoxyethyl)-2-methylpyrimidin-4-amine
CID 80932180
6-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenoxy)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112869510
4-N-(3-bromophenyl)-6-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880351
4-N-(3,5-dimethylphenyl)-6-N-(3-methoxypropyl)-2-methylpyrimidine-4,6-diamine
CID 112869720

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine (CID 112869526) is 6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine is COCCNc1cc(Nc2ccccc2)nc(C)n1.
What is the InChIKey of 6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine?
The InChIKey is GAIPMYWSOAAOAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-16-13(15-8-9-19-2)10-14(17-11)18-12-6-4-3-5-7-12/h3-7,10H,8-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine?
6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine is sourced from PubChem (CID 112869526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).