6-(4-methoxyphenyl)-4-N-octylpyrimidine-2,4-diamine

C19H28N4O — CID 75815438

IUPAC6-(4-methoxyphenyl)-4-N-octylpyrimidine-2,4-diamine
SMILESCCCCCCCCNc1cc(-c2ccc(OC)cc2)nc(N)n1
InChIInChI=1S/C19H28N4O/c1-3-4-5-6-7-8-13-21-18-14-17(22-19(20)23-18)15-9-11-16(24-2)12-10-15/h9-12,14H,3-8,13H2,1-2H3,(H3,20,21,22,23)
InChIKeyHPTZTRACBOHBMX-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.51
Rot. Bonds10

About 6-(4-methoxyphenyl)-4-N-octylpyrimidine-2,4-diamine

6-(4-methoxyphenyl)-4-N-octylpyrimidine-2,4-diamine (PubChem CID 75815438) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-4-N-octylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-4-N-octylpyrimidine-2,4-diamine
PubChem CID75815438
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name6-(4-methoxyphenyl)-4-N-octylpyrimidine-2,4-diamine
SMILESCCCCCCCCNc1cc(-c2ccc(OC)cc2)nc(N)n1
InChIInChI=1S/C19H28N4O/c1-3-4-5-6-7-8-13-21-18-14-17(22-19(20)23-18)15-9-11-16(24-2)12-10-15/h9-12,14H,3-8,13H2,1-2H3,(H3,20,21,22,23)
InChIKeyHPTZTRACBOHBMX-UHFFFAOYSA-N
XLogP4.51
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.51
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

Thonzylamine
CID 5457
Thonzonium
CID 5456
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
CP-31398
CID 9950868
N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
CID 11210285
6-Ethyl-5-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 13926986
2-(7-Methoxy-4-methylquinazolin-2-yl)guanidine
CID 2835211
4-(3-aminophenyl)-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 20855152
(7-Ethoxy-4-methylquinazolin-2-yl)(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)amine
CID 658668
N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N~4~-benzyl-N~2~-(4-methoxyphenyl)quinazoline-2,4-diamine
CID 1330474
6-(4-Methoxyphenyl)pyrimidine-2,4-diamine
CID 2808121

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-4-N-octylpyrimidine-2,4-diamine?
The IUPAC name of 6-(4-methoxyphenyl)-4-N-octylpyrimidine-2,4-diamine (CID 75815438) is 6-(4-methoxyphenyl)-4-N-octylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-(4-methoxyphenyl)-4-N-octylpyrimidine-2,4-diamine?
The canonical SMILES for 6-(4-methoxyphenyl)-4-N-octylpyrimidine-2,4-diamine is CCCCCCCCNc1cc(-c2ccc(OC)cc2)nc(N)n1.
What is the InChIKey of 6-(4-methoxyphenyl)-4-N-octylpyrimidine-2,4-diamine?
The InChIKey is HPTZTRACBOHBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-3-4-5-6-7-8-13-21-18-14-17(22-19(20)23-18)15-9-11-16(24-2)12-10-15/h9-12,14H,3-8,13H2,1-2H3,(H3,20,21,22,23).
What are the key properties of 6-(4-methoxyphenyl)-4-N-octylpyrimidine-2,4-diamine?
6-(4-methoxyphenyl)-4-N-octylpyrimidine-2,4-diamine has a molecular weight of 328.46 g/mol, XLogP of 4.51, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-4-N-octylpyrimidine-2,4-diamine is sourced from PubChem (CID 75815438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).