N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine

C14H18N4O — CID 66320787

IUPACN-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine
SMILESCCN(Cc1cccc(N)c1)c1cc(OC)ncn1
InChIInChI=1S/C14H18N4O/c1-3-18(9-11-5-4-6-12(15)7-11)13-8-14(19-2)17-10-16-13/h4-8,10H,3,9,15H2,1-2H3
InChIKeyPTQDPVBAQHVALH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.09
Rot. Bonds5

About N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine

N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine (PubChem CID 66320787) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine
PubChem CID66320787
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC NameN-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine
SMILESCCN(Cc1cccc(N)c1)c1cc(OC)ncn1
InChIInChI=1S/C14H18N4O/c1-3-18(9-11-5-4-6-12(15)7-11)13-8-14(19-2)17-10-16-13/h4-8,10H,3,9,15H2,1-2H3
InChIKeyPTQDPVBAQHVALH-UHFFFAOYSA-N
XLogP2.09
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-aminophenyl)methyl]-6-ethoxy-N-ethylpyridin-2-amine
CID 63591322
4-N-[(3-aminophenyl)methyl]-4-N-ethyl-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64828920
4-[(3-aminophenyl)methyl-ethylamino]-1H-pyrimidin-6-one
CID 136979201
2-[(3-aminophenyl)methyl-(6-methoxy-2-pyridinyl)amino]acetamide
CID 63589902
2-[(3-aminophenyl)methyl-ethylamino]pyridine-4-carboxamide
CID 60875501
N-[(4-aminophenyl)methyl]-6-methoxy-N-methylpyrimidin-4-amine
CID 66318304
2-[(3-aminophenyl)methyl-ethylamino]-4-methoxybenzonitrile
CID 81300526
4-N,6-N-dibenzyl-4-N-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 112859420
3-[[ethyl-[(3-methoxyphenyl)methyl]amino]methyl]aniline
CID 43459109
3-[(4-chloro-N-ethylanilino)methyl]aniline
CID 143248612
N-[(3-aminophenyl)methyl]-N-ethylpyrazolo[1,5-a]pyrimidin-5-amine
CID 115372842
N-[(3-aminophenyl)methyl]-N-ethyl-3,5-difluoropyridin-2-amine
CID 112676261

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine (CID 66320787) is N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine is CCN(Cc1cccc(N)c1)c1cc(OC)ncn1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine?
The InChIKey is PTQDPVBAQHVALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-3-18(9-11-5-4-6-12(15)7-11)13-8-14(19-2)17-10-16-13/h4-8,10H,3,9,15H2,1-2H3.
What are the key properties of N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine?
N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine has a molecular weight of 258.32 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-N-ethyl-6-methoxypyrimidin-4-amine is sourced from PubChem (CID 66320787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).