4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine

C20H22N4 — CID 112901770

IUPAC4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCCc1cccc(CC)c1Nc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-3-15-9-8-10-16(4-2)19(15)23-18-13-14-21-20(24-18)22-17-11-6-5-7-12-17/h5-14H,3-4H2,1-2H3,(H2,21,22,23,24)
InChIKeyQYXXJPFWRCNTSU-UHFFFAOYSA-N
MW318.42 g/mol
LogP5.09
Rot. Bonds6

About 4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine

4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine (PubChem CID 112901770) has the molecular formula C20H22N4 and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine
PubChem CID112901770
Molecular FormulaC20H22N4
Molecular Weight318.42 g/mol
Exact Mass318.18
IUPAC Name4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine
SMILESCCc1cccc(CC)c1Nc1ccnc(Nc2ccccc2)n1
InChIInChI=1S/C20H22N4/c1-3-15-9-8-10-16(4-2)19(15)23-18-13-14-21-20(24-18)22-17-11-6-5-7-12-17/h5-14H,3-4H2,1-2H3,(H2,21,22,23,24)
InChIKeyQYXXJPFWRCNTSU-UHFFFAOYSA-N
XLogP5.09
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.42
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[[4-(2,6-diethylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112903235
2,6-diethyl-N-phenylaniline
CID 45095580
1-[4-[[4-(2-ethyl-6-methylanilino)pyrimidin-2-yl]amino]phenyl]ethanone
CID 112903028
4-N-(2-ethyl-6-methylphenyl)-2-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112903019
2-[[2-(2,6-diethylanilino)pyrimidin-4-yl]amino]benzonitrile
CID 112903264
4-N-(3-bromophenyl)-2-N-(2-ethylphenyl)pyrimidine-2,4-diamine
CID 112902818
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(2-ethyl-6-methylphenyl)pyrimidine-2,4-diamine
CID 112903040
2-N-(2-ethyl-6-methylphenyl)-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112889764
2-N-methyl-4-N-phenylpyrimidine-2,4-diamine
CID 70186991
4-hydrazinyl-N-phenylpyrimidin-2-amine
CID 94672732
4-N-[(2-fluorophenyl)methyl]-2-N-phenylpyrimidine-2,4-diamine
CID 112891132
N-(2,6-diethylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112899009

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine (CID 112901770) is 4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine is CCc1cccc(CC)c1Nc1ccnc(Nc2ccccc2)n1.
What is the InChIKey of 4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine?
The InChIKey is QYXXJPFWRCNTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4/c1-3-15-9-8-10-16(4-2)19(15)23-18-13-14-21-20(24-18)22-17-11-6-5-7-12-17/h5-14H,3-4H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine?
4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine has a molecular weight of 318.42 g/mol, XLogP of 5.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,6-diethylphenyl)-2-N-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 112901770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).