N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine

C14H18N4O — CID 112638879

IUPACN-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC(C)c2ccc(N)cc2)n1
InChIInChI=1S/C14H18N4O/c1-3-19-13-8-9-16-14(18-13)17-10(2)11-4-6-12(15)7-5-11/h4-10H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyUWNKGQNIYZPTRM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.63
Rot. Bonds5

About N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine

N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine (PubChem CID 112638879) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine
PubChem CID112638879
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC(C)c2ccc(N)cc2)n1
InChIInChI=1S/C14H18N4O/c1-3-19-13-8-9-16-14(18-13)17-10(2)11-4-6-12(15)7-5-11/h4-10H,3,15H2,1-2H3,(H,16,17,18)
InChIKeyUWNKGQNIYZPTRM-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639273
4-ethoxy-N-[(4-propan-2-ylphenyl)methyl]pyrimidin-2-amine
CID 115974875
4-ethoxy-N-(1-phenylpropyl)pyrimidin-2-amine
CID 112637466
N-(2,3-dimethylbutyl)-4-ethoxypyrimidin-2-amine
CID 112637900
N,N-diethyl-4-[(1S)-1-[(4-methoxypyrimidin-2-yl)amino]ethyl]benzenesulfonamide
CID 26436660
4-ethoxy-N-[1-(4-methylphenoxy)propan-2-yl]pyrimidin-2-amine
CID 115974641
2-N-(1-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 116795499
4-methyl-N-[1-(4-methylphenyl)ethyl]pyrimidin-2-amine
CID 62958041
4-ethoxy-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 112636496
N-[1-(4-aminophenyl)ethyl]-5-iodopyrimidin-2-amine
CID 116648717
N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638872
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine (CID 112638879) is N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NC(C)c2ccc(N)cc2)n1.
What is the InChIKey of N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine?
The InChIKey is UWNKGQNIYZPTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-19-13-8-9-16-14(18-13)17-10(2)11-4-6-12(15)7-5-11/h4-10H,3,15H2,1-2H3,(H,16,17,18).
What are the key properties of N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine?
N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine has a molecular weight of 258.32 g/mol, XLogP of 2.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-aminophenyl)ethyl]-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 112638879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).