4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine

C18H19N5 — CID 144972199

IUPAC4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
SMILESNc1ccc(CCNc2cc(-c3ccccc3)nc(N)n2)cc1
InChIInChI=1S/C18H19N5/c19-15-8-6-13(7-9-15)10-11-21-17-12-16(22-18(20)23-17)14-4-2-1-3-5-14/h1-9,12H,10-11,19H2,(H3,20,21,22,23)
InChIKeyNAYUIXJYMSHOHT-UHFFFAOYSA-N
MW305.39 g/mol
LogP2.96
Rot. Bonds5

About 4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine

4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine (PubChem CID 144972199) has the molecular formula C18H19N5 and a molecular weight of 305.39 g/mol. Its IUPAC name is 4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
PubChem CID144972199
Molecular FormulaC18H19N5
Molecular Weight305.39 g/mol
Exact Mass305.16
IUPAC Name4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
SMILESNc1ccc(CCNc2cc(-c3ccccc3)nc(N)n2)cc1
InChIInChI=1S/C18H19N5/c19-15-8-6-13(7-9-15)10-11-21-17-12-16(22-18(20)23-17)14-4-2-1-3-5-14/h1-9,12H,10-11,19H2,(H3,20,21,22,23)
InChIKeyNAYUIXJYMSHOHT-UHFFFAOYSA-N
XLogP2.96
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.39
LogP ≤ 52.96
H-Bond Donors ≤ 53
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

4-N-(3-aminopropyl)-6-phenylpyrimidine-2,4-diamine
CID 130209355
2-[[2-amino-6-[4-(2-aminoethyl)phenyl]pyrimidin-4-yl]amino]ethanol
CID 162636438
6-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80777642
4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol
CID 117082432
6-N-[2-[(2-amino-6-phenylpyrimidin-4-yl)amino]ethyl]-4-N-(2-methylpropyl)pyrimidine-2,4,6-triamine
CID 71681479
4-hydrazinyl-6-phenylpyrimidin-2-amine
CID 58316685
4-N-[2-(4-chlorophenyl)ethyl]-6-(1H-pyrrol-2-yl)pyrimidine-2,4-diamine
CID 90189428
4-N-cyclopropyl-6-phenylpyrimidine-2,4-diamine
CID 117081020
1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone
CID 118559411
4-[2-[[2-amino-6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethyl]phenol
CID 117091764
2-N-(2-methoxyethyl)-4-N-[2-(4-methoxyphenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935017
2-N-[2-(4-chlorophenyl)ethyl]-6-phenyl-4-N-prop-2-enylpyrimidine-2,4-diamine
CID 112933289

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine (CID 144972199) is 4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine is Nc1ccc(CCNc2cc(-c3ccccc3)nc(N)n2)cc1.
What is the InChIKey of 4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine?
The InChIKey is NAYUIXJYMSHOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5/c19-15-8-6-13(7-9-15)10-11-21-17-12-16(22-18(20)23-17)14-4-2-1-3-5-14/h1-9,12H,10-11,19H2,(H3,20,21,22,23).
What are the key properties of 4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine?
4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine has a molecular weight of 305.39 g/mol, XLogP of 2.96, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 144972199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).