4-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine

C14H18N4O — CID 112634854

IUPAC4-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine
SMILESCCCOc1cc(C)nc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C14H18N4O/c1-3-8-19-13-9-10(2)16-14(18-13)17-12-6-4-11(15)5-7-12/h4-7,9H,3,8,15H2,1-2H3,(H,16,17,18)
InChIKeySCOBVFBAHWUDSJ-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.90
Rot. Bonds5

About 4-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine

4-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine (PubChem CID 112634854) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine
PubChem CID112634854
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine
SMILESCCCOc1cc(C)nc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C14H18N4O/c1-3-8-19-13-9-10(2)16-14(18-13)17-12-6-4-11(15)5-7-12/h4-7,9H,3,8,15H2,1-2H3,(H,16,17,18)
InChIKeySCOBVFBAHWUDSJ-UHFFFAOYSA-N
XLogP2.90
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[4-(2-aminoethyl)phenyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115973945
4-chloro-3-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,3-diamine
CID 115973365
N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115973398
4,6-dimethyl-N-(4-propoxyphenyl)pyrimidin-2-amine;hydrochloride
CID 20997997
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
4-methyl-N-prop-2-enyl-6-propoxypyrimidin-2-amine
CID 112637443
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
CID 115974921
4-methyl-N-(2-methylcyclopropyl)-6-propoxypyrimidin-2-amine
CID 112637482
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine?
The IUPAC name of 4-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine (CID 112634854) is 4-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine is CCCOc1cc(C)nc(Nc2ccc(N)cc2)n1.
What is the InChIKey of 4-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine?
The InChIKey is SCOBVFBAHWUDSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-8-19-13-9-10(2)16-14(18-13)17-12-6-4-11(15)5-7-12/h4-7,9H,3,8,15H2,1-2H3,(H,16,17,18).
What are the key properties of 4-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine?
4-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine has a molecular weight of 258.32 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine is sourced from PubChem (CID 112634854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).