4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine

C13H24N4O — CID 113478373

IUPAC4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCC(C)OCC)n1
InChIInChI=1S/C13H24N4O/c1-5-7-14-13-16-10(3)8-12(17-13)15-9-11(4)18-6-2/h8,11H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyWCSIGPQWELRZIX-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.44
Rot. Bonds8

About 4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine

4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine (PubChem CID 113478373) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
PubChem CID113478373
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
SMILESCCCNc1nc(C)cc(NCC(C)OCC)n1
InChIInChI=1S/C13H24N4O/c1-5-7-14-13-16-10(3)8-12(17-13)15-9-11(4)18-6-2/h8,11H,5-7,9H2,1-4H3,(H2,14,15,16,17)
InChIKeyWCSIGPQWELRZIX-UHFFFAOYSA-N
XLogP2.44
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4,4-dimethyl-1-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]pentan-2-ol
CID 107159611
4-N-(1-methoxypropan-2-yl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80785414
6-methyl-4-N-(2-methylsulfinylethyl)-2-N-propylpyrimidine-2,4-diamine
CID 113480698
6-methyl-4-N-(5-methylhexan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80839957
2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propane-1,3-diol
CID 80842663
4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine
CID 80882608
4-N-[2-(2-methoxyethoxy)ethyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80814127
6-methyl-4-N-[(4-methylcyclohexyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80827768
N,N-dimethyl-2-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80784037
N,N-dimethyl-3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]propanamide
CID 80814000
6-methyl-4-N-octan-2-yl-2-N-propylpyrimidine-2,4-diamine
CID 80800524
6-methyl-4-N-(4-propan-2-yloxyphenyl)-2-N-propylpyrimidine-2,4-diamine
CID 112907048

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine (CID 113478373) is 4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine is CCCNc1nc(C)cc(NCC(C)OCC)n1.
What is the InChIKey of 4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is WCSIGPQWELRZIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-7-14-13-16-10(3)8-12(17-13)15-9-11(4)18-6-2/h8,11H,5-7,9H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine?
4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.44, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 113478373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).