6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine

C17H24N4O — CID 82456062

IUPAC6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine
SMILESCCCc1nc(NCc2ccc(C)cc2)c(N)c(OCC)n1
InChIInChI=1S/C17H24N4O/c1-4-6-14-20-16(15(18)17(21-14)22-5-2)19-11-13-9-7-12(3)8-10-13/h7-10H,4-6,11,18H2,1-3H3,(H,19,20,21)
InChIKeyYIEGVVPMIMCZFB-UHFFFAOYSA-N
MW300.41 g/mol
LogP3.33
Rot. Bonds7

About 6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine

6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine (PubChem CID 82456062) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine
PubChem CID82456062
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine
SMILESCCCc1nc(NCc2ccc(C)cc2)c(N)c(OCC)n1
InChIInChI=1S/C17H24N4O/c1-4-6-14-20-16(15(18)17(21-14)22-5-2)19-11-13-9-7-12(3)8-10-13/h7-10H,4-6,11,18H2,1-3H3,(H,19,20,21)
InChIKeyYIEGVVPMIMCZFB-UHFFFAOYSA-N
XLogP3.33
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-ethoxy-2-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,5-diamine
CID 82456039
4-N-tert-butyl-6-ethoxy-2-propylpyrimidine-4,5-diamine
CID 82456041
6-ethoxy-2-(2-methylpropyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-4,5-diamine
CID 82458261
4-N-[2-(diethylamino)ethyl]-6-ethoxy-2-propylpyrimidine-4,5-diamine
CID 82456040
6-ethoxy-2-N-[(4-methylphenyl)methyl]pyridine-2,5-diamine
CID 43261190
6-ethoxy-4-N-(3-ethoxypropyl)-2-propylpyrimidine-4,5-diamine
CID 82456045
2-methyl-4-N-[(4-methylphenyl)methyl]-6-(2-methylpropoxy)pyrimidine-4,5-diamine
CID 82455532
6-N,2-diethyl-5-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80980974
4-N-benzyl-2-cyclopropyl-6-ethoxypyrimidine-4,5-diamine
CID 82456251
6-(2-methoxyethoxy)-4-N-(2-methoxyethyl)-2-propylpyrimidine-4,5-diamine
CID 82456161
4-N-[(4-chlorophenyl)methyl]-6-methoxy-2-(methoxymethyl)pyrimidine-4,5-diamine
CID 82458569
6-N-hexadecyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,5,6-triamine
CID 19142422

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine?
The IUPAC name of 6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine (CID 82456062) is 6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine?
The canonical SMILES for 6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine is CCCc1nc(NCc2ccc(C)cc2)c(N)c(OCC)n1.
What is the InChIKey of 6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine?
The InChIKey is YIEGVVPMIMCZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-4-6-14-20-16(15(18)17(21-14)22-5-2)19-11-13-9-7-12(3)8-10-13/h7-10H,4-6,11,18H2,1-3H3,(H,19,20,21).
What are the key properties of 6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine?
6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine has a molecular weight of 300.41 g/mol, XLogP of 3.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,5-diamine is sourced from PubChem (CID 82456062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).