6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine

C17H24N4O — CID 112855105

IUPAC6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCCCCNc1cc(NCCc2ccccc2OC)ncn1
InChIInChI=1S/C17H24N4O/c1-3-4-10-18-16-12-17(21-13-20-16)19-11-9-14-7-5-6-8-15(14)22-2/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,18,19,20,21)
InChIKeyOPOIILAWIVOOOL-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.35
Rot. Bonds9

About 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine

6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine (PubChem CID 112855105) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
PubChem CID112855105
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
SMILESCCCCNc1cc(NCCc2ccccc2OC)ncn1
InChIInChI=1S/C17H24N4O/c1-3-4-10-18-16-12-17(21-13-20-16)19-11-9-14-7-5-6-8-15(14)22-2/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,18,19,20,21)
InChIKeyOPOIILAWIVOOOL-UHFFFAOYSA-N
XLogP3.35
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 ≤ 53.35
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-(butylamino)-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109339848
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 112867874
N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine
CID 69178153
6-N-butyl-4-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112855188
4-N-(3,5-dimethylphenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861517
N-butyl-6-[2-(2-methoxyphenyl)ethylamino]-N-methylpyrimidine-4-carboxamide
CID 109351170
N-[2-(2-methoxyphenyl)ethyl]-6-(2-methylpyrimidin-5-yl)pyrimidin-4-amine
CID 123915678
6-N-butyl-4-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112855106
4-N-(3-chlorophenyl)-6-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine
CID 112861528
N-[2-(2-methoxyphenyl)ethyl]-6-[2-(methylamino)pyrimidin-5-yl]pyrimidin-4-amine
CID 123763987
6-N-[2-(4-fluorophenyl)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860060
N-butan-2-yl-6-[2-(2-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109340798

Frequently Asked Questions

What is the IUPAC name of 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine (CID 112855105) is 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine is CCCCNc1cc(NCCc2ccccc2OC)ncn1.
What is the InChIKey of 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is OPOIILAWIVOOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-3-4-10-18-16-12-17(21-13-20-16)19-11-9-14-7-5-6-8-15(14)22-2/h5-8,12-13H,3-4,9-11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine?
6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 300.41 g/mol, XLogP of 3.35, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-butyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 112855105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).