5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine

C20H30N4O — CID 71377421

IUPAC5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCCCCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
InChIInChI=1S/C20H30N4O/c1-2-3-4-5-6-7-8-13-25-18-11-9-16(10-12-18)14-17-15-23-20(22)24-19(17)21/h9-12,15H,2-8,13-14H2,1H3,(H4,21,22,23,24)
InChIKeyMOUTVHQIWRWWCA-UHFFFAOYSA-N
MW342.49 g/mol
LogP4.36
Rot. Bonds11

About 5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine

5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 71377421) has the molecular formula C20H30N4O and a molecular weight of 342.49 g/mol. Its IUPAC name is 5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine
PubChem CID71377421
Molecular FormulaC20H30N4O
Molecular Weight342.49 g/mol
Exact Mass342.24
IUPAC Name5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine
SMILESCCCCCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1
InChIInChI=1S/C20H30N4O/c1-2-3-4-5-6-7-8-13-25-18-11-9-16(10-12-18)14-17-15-23-20(22)24-19(17)21/h9-12,15H,2-8,13-14H2,1H3,(H4,21,22,23,24)
InChIKeyMOUTVHQIWRWWCA-UHFFFAOYSA-N
XLogP4.36
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.49
LogP ≤ 54.36
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

5-[(4-heptoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 10335810
5-[(3-butoxy-4-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 11403887
5-[(3,5-dimethoxy-4-octoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 5279633
5-[(4-butoxy-3,5-dipropylphenyl)methyl]pyrimidine-2,4-diamine
CID 13112761
5-[5-(4-propylsulfanylphenoxy)pentyl]pyrimidine-2,4-diamine
CID 134124663
5-[(2-decyl-2-methyl-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine
CID 540791
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
(4-decoxyphenyl)methanamine
CID 55187501
1,4-dipentoxybenzene
CID 18314717
5-[[4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl]methyl]pyrimidine-2,4-diamine
CID 71650296
1-hexoxy-4-pentylbenzene
CID 54277450

Frequently Asked Questions

What is the IUPAC name of 5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine (CID 71377421) is 5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine is CCCCCCCCCOc1ccc(Cc2cnc(N)nc2N)cc1.
What is the InChIKey of 5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is MOUTVHQIWRWWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O/c1-2-3-4-5-6-7-8-13-25-18-11-9-16(10-12-18)14-17-15-23-20(22)24-19(17)21/h9-12,15H,2-8,13-14H2,1H3,(H4,21,22,23,24).
What are the key properties of 5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine?
5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 342.49 g/mol, XLogP of 4.36, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-nonoxyphenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 71377421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).