5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine

C18H26N4O — CID 142789376

IUPAC5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(CCCCCCc2c(C)nc(N)nc2N)cc1
InChIInChI=1S/C18H26N4O/c1-13-16(17(19)22-18(20)21-13)8-6-4-3-5-7-14-9-11-15(23-2)12-10-14/h9-12H,3-8H2,1-2H3,(H4,19,20,21,22)
InChIKeyMIEZHWXCLKDSOQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.30
Rot. Bonds8

About 5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine

5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine (PubChem CID 142789376) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine
PubChem CID142789376
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine
SMILESCOc1ccc(CCCCCCc2c(C)nc(N)nc2N)cc1
InChIInChI=1S/C18H26N4O/c1-13-16(17(19)22-18(20)21-13)8-6-4-3-5-7-14-9-11-15(23-2)12-10-14/h9-12H,3-8H2,1-2H3,(H4,19,20,21,22)
InChIKeyMIEZHWXCLKDSOQ-UHFFFAOYSA-N
XLogP3.30
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.30
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-(4-methoxyphenyl)hexane-1-thiol
CID 10799192
5-(4-methoxyphenyl)pentan-1-amine
CID 11507342
10-(4-methoxyphenyl)decan-1-amine
CID 70566558
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
ethyl 10-(4-methoxyphenyl)decanoate
CID 134946560
4-(4-methoxyphenyl)butan-1-amine;hydrochloride
CID 22715047
5-(4-methoxyphenyl)pentanamide
CID 134389506
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
3-(4-methoxyphenyl)propan-1-amine;hydrochloride
CID 3029814
1-methoxy-4-(4-methoxybutyl)benzene
CID 18345059
ethyl 2-[5-(4-methoxyphenyl)pentyl]-5-methyl-1,3-thiazole-4-carboxylate
CID 161136638
6-methyl-5-[3-[3-(trifluoromethyl)phenyl]propyl]pyrimidine-2,4-diamine
CID 56695197

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine (CID 142789376) is 5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine is COc1ccc(CCCCCCc2c(C)nc(N)nc2N)cc1.
What is the InChIKey of 5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine?
The InChIKey is MIEZHWXCLKDSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-13-16(17(19)22-18(20)21-13)8-6-4-3-5-7-14-9-11-15(23-2)12-10-14/h9-12H,3-8H2,1-2H3,(H4,19,20,21,22).
What are the key properties of 5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine?
5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine has a molecular weight of 314.43 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(4-methoxyphenyl)hexyl]-6-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 142789376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).