2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine

C16H22N4 — CID 80808085

IUPAC2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
SMILESCCCc1ccccc1Nc1cc(C)nc(NCC)n1
InChIInChI=1S/C16H22N4/c1-4-8-13-9-6-7-10-14(13)19-15-11-12(3)18-16(20-15)17-5-2/h6-7,9-11H,4-5,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyRBXPMQJOPZIBDA-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.91
Rot. Bonds6

About 2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine

2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine (PubChem CID 80808085) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
PubChem CID80808085
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
SMILESCCCc1ccccc1Nc1cc(C)nc(NCC)n1
InChIInChI=1S/C16H22N4/c1-4-8-13-9-6-7-10-14(13)19-15-11-12(3)18-16(20-15)17-5-2/h6-7,9-11H,4-5,8H2,1-3H3,(H2,17,18,19,20)
InChIKeyRBXPMQJOPZIBDA-UHFFFAOYSA-N
XLogP3.91
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-4-N-[2-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 80801480
2-N-ethyl-6-methyl-4-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 80759675
2-N-ethyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine
CID 80807590
2-N-benzyl-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112915698
4-N-(3-chloro-2-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80762805
2-N-ethyl-6-N-(2-propylphenyl)pyridine-2,6-diamine
CID 80807820
2-N-[(4-chlorophenyl)methyl]-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918116
4-N-(2-ethylphenyl)-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907315
2-N-(2-bromophenyl)-4-N-(2-ethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112928595
6-N-ethyl-2-N-(2-propylphenyl)pyrazine-2,6-diamine
CID 80807077
4-N-[(2-chlorophenyl)methyl]-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 80786647
4-N-(2-chloro-5-methylphenyl)-2-N-ethyl-6-methylpyrimidine-2,4-diamine
CID 107638886

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine (CID 80808085) is 2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine is CCCc1ccccc1Nc1cc(C)nc(NCC)n1.
What is the InChIKey of 2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine?
The InChIKey is RBXPMQJOPZIBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-8-13-9-6-7-10-14(13)19-15-11-12(3)18-16(20-15)17-5-2/h6-7,9-11H,4-5,8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine?
2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-methyl-4-N-(2-propylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80808085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).