N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine

C16H22N4O — CID 115973398

IUPACN-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCc2ccc(N)cc2)n1
InChIInChI=1S/C16H22N4O/c1-3-10-21-15-11-12(2)19-16(20-15)18-9-8-13-4-6-14(17)7-5-13/h4-7,11H,3,8-10,17H2,1-2H3,(H,18,19,20)
InChIKeyGOMLUQGCFWQBCO-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.81
Rot. Bonds7

About N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine

N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine (PubChem CID 115973398) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
PubChem CID115973398
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
SMILESCCCOc1cc(C)nc(NCCc2ccc(N)cc2)n1
InChIInChI=1S/C16H22N4O/c1-3-10-21-15-11-12(2)19-16(20-15)18-9-8-13-4-6-14(17)7-5-13/h4-7,11H,3,8-10,17H2,1-2H3,(H,18,19,20)
InChIKeyGOMLUQGCFWQBCO-UHFFFAOYSA-N
XLogP2.81
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.81
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-N-(4-methyl-6-propoxypyrimidin-2-yl)benzene-1,4-diamine
CID 112634854
N-hexyl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637799
4-ethoxy-6-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 5066040
4-methyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 106418468
N-(3-methoxypropyl)-4-methyl-6-propoxypyrimidin-2-amine
CID 112636619
4-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]-6-propoxypyrimidin-2-amine
CID 106105448
2-methyl-1-N-(4-methyl-6-propoxypyrimidin-2-yl)propane-1,2-diamine
CID 112635096
4-methyl-N-(2-phenylsulfanylethyl)-6-propoxypyrimidin-2-amine
CID 115974555
N-[3-(2-aminoethoxy)propyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106308368
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106177621
4-methyl-N-[(3-methylphenyl)methyl]-6-propoxypyrimidin-2-amine
CID 115974514

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine (CID 115973398) is N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine is CCCOc1cc(C)nc(NCCc2ccc(N)cc2)n1.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine?
The InChIKey is GOMLUQGCFWQBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-10-21-15-11-12(2)19-16(20-15)18-9-8-13-4-6-14(17)7-5-13/h4-7,11H,3,8-10,17H2,1-2H3,(H,18,19,20).
What are the key properties of N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine?
N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine has a molecular weight of 286.38 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine is sourced from PubChem (CID 115973398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).