4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine

C17H24N4O — CID 112869509

IUPAC4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
SMILESCOCCNc1cc(NCCCc2ccccc2)nc(C)n1
InChIInChI=1S/C17H24N4O/c1-14-20-16(13-17(21-14)19-11-12-22-2)18-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,13H,6,9-12H2,1-2H3,(H2,18,19,20,21)
InChIKeyDRCNINOAPPRDND-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.89
Rot. Bonds9

About 4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine

4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine (PubChem CID 112869509) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
PubChem CID112869509
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
SMILESCOCCNc1cc(NCCCc2ccccc2)nc(C)n1
InChIInChI=1S/C17H24N4O/c1-14-20-16(13-17(21-14)19-11-12-22-2)18-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,13H,6,9-12H2,1-2H3,(H2,18,19,20,21)
InChIKeyDRCNINOAPPRDND-UHFFFAOYSA-N
XLogP2.89
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.89
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

4-N-(2-methoxyethyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911380
4-N-[(4-methoxyphenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872921
4-N-(4-methoxyphenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875784
6-N-(2-methoxyethyl)-2-methyl-4-N-phenylpyrimidine-4,6-diamine
CID 112869526
2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112911933
4-N-[(4-chlorophenyl)methyl]-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112872700
6-(3-methoxypropylamino)-2-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109365015
4-N-(2-bromophenyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112875803
6-N-(2-methoxyethyl)-2-methyl-4-N-(4-phenylmethoxyphenyl)pyrimidine-4,6-diamine
CID 112869597
2-methyl-4-N-(4-phenylbutyl)pyrimidine-4,6-diamine
CID 11043367
6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112880400
6-N-[3-(dimethylamino)propyl]-4-N-(2-methoxyethyl)-2-methylpyrimidine-4,6-diamine
CID 112869453

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine (CID 112869509) is 4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine is COCCNc1cc(NCCCc2ccccc2)nc(C)n1.
What is the InChIKey of 4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
The InChIKey is DRCNINOAPPRDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-14-20-16(13-17(21-14)19-11-12-22-2)18-10-6-9-15-7-4-3-5-8-15/h3-5,7-8,13H,6,9-12H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine?
4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine has a molecular weight of 300.41 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112869509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).