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

C18H26N4O — CID 112911933

IUPAC2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCOCCCNc1nc(C)cc(NCCCc2ccccc2)n1
InChIInChI=1S/C18H26N4O/c1-15-14-17(22-18(21-15)20-12-7-13-23-2)19-11-6-10-16-8-4-3-5-9-16/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H2,19,20,21,22)
InChIKeyJFDBMKTUXDXYKX-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.28
Rot. Bonds10

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

2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine (PubChem CID 112911933) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
PubChem CID112911933
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
SMILESCOCCCNc1nc(C)cc(NCCCc2ccccc2)n1
InChIInChI=1S/C18H26N4O/c1-15-14-17(22-18(21-15)20-12-7-13-23-2)19-11-6-10-16-8-4-3-5-9-16/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H2,19,20,21,22)
InChIKeyJFDBMKTUXDXYKX-UHFFFAOYSA-N
XLogP3.28
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.28
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
2-N-benzyl-4-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911702
6-methyl-4-N-(2-phenylethyl)-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920056
2-N-[2-(4-methoxyphenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112921379
6-methyl-4-N-pentyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924404
4-N-[2-(3-chlorophenyl)ethyl]-2-N-(3-methoxypropyl)-6-methylpyrimidine-2,4-diamine
CID 112911945
2-N-[2-(4-fluorophenyl)ethyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112920850
4-N-(2-methoxyethyl)-2-methyl-6-N-(3-phenylpropyl)pyrimidine-4,6-diamine
CID 112869509
4-N-(3-methoxypropyl)-6-methyl-2-N-(1-phenylethyl)pyrimidine-2,4-diamine
CID 112911706
2-N-[(4-chlorophenyl)methyl]-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112918090
4-N-(3,5-dimethylphenyl)-6-methyl-2-N-(3-phenylpropyl)pyrimidine-2,4-diamine
CID 112924421
2-N-[3-(dimethylamino)propyl]-6-methyl-4-N-(2-phenylethyl)pyrimidine-2,4-diamine
CID 112913622

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine (CID 112911933) is 2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine is COCCCNc1nc(C)cc(NCCCc2ccccc2)n1.
What is the InChIKey of 2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
The InChIKey is JFDBMKTUXDXYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-15-14-17(22-18(21-15)20-12-7-13-23-2)19-11-6-10-16-8-4-3-5-9-16/h3-5,8-9,14H,6-7,10-13H2,1-2H3,(H2,19,20,21,22).
What are the key properties of 2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine?
2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine has a molecular weight of 314.43 g/mol, XLogP of 3.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methoxypropyl)-6-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112911933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).