5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine

C16H22N4 — CID 106900980

IUPAC5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1ccc(CNc2ncnc(NC)c2CC)cc1
InChIInChI=1S/C16H22N4/c1-4-12-6-8-13(9-7-12)10-18-16-14(5-2)15(17-3)19-11-20-16/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyACKLAGWVMIFDDN-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.26
Rot. Bonds6

About 5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine

5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine (PubChem CID 106900980) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
PubChem CID106900980
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine
SMILESCCc1ccc(CNc2ncnc(NC)c2CC)cc1
InChIInChI=1S/C16H22N4/c1-4-12-6-8-13(9-7-12)10-18-16-14(5-2)15(17-3)19-11-20-16/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18,19,20)
InChIKeyACKLAGWVMIFDDN-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-6-N-methyl-4-N-[(4-propan-2-ylphenyl)methyl]pyrimidine-4,6-diamine
CID 80792894
5-ethyl-4-N-[(4-fluorophenyl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80772654
4-N-[(4-chlorophenyl)methyl]-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80750556
5-ethyl-6-N-methyl-4-N-[(5-methylfuran-2-yl)methyl]pyrimidine-4,6-diamine
CID 80833185
5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106378478
5-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-N-methylpyrimidin-4-amine
CID 79740521
4-N-(4-butylphenyl)-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80772920
5-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 80770928
4-N-[2-(diethylamino)ethyl]-5-ethyl-6-N-methylpyrimidine-4,6-diamine
CID 80770786
5-ethyl-4-N-(2-methoxy-2-methylpropyl)-6-N-methylpyrimidine-4,6-diamine
CID 104767180
6-N-[(4-chlorophenyl)methyl]-4-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544359
5-ethyl-4-N-[(4-methylsulfonylphenyl)methyl]pyrimidine-4,6-diamine
CID 80796060

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The IUPAC name of 5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine (CID 106900980) is 5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The canonical SMILES for 5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine is CCc1ccc(CNc2ncnc(NC)c2CC)cc1.
What is the InChIKey of 5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
The InChIKey is ACKLAGWVMIFDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-4-12-6-8-13(9-7-12)10-18-16-14(5-2)15(17-3)19-11-20-16/h6-9,11H,4-5,10H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine?
5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine has a molecular weight of 270.38 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-N-[(4-ethylphenyl)methyl]-6-N-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 106900980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).