4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

C13H24N4O — CID 80813471

IUPAC4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCOCC(C)Nc1ncnc(NC)c1C(C)C
InChIInChI=1S/C13H24N4O/c1-6-18-7-10(4)17-13-11(9(2)3)12(14-5)15-8-16-13/h8-10H,6-7H2,1-5H3,(H2,14,15,16,17)
InChIKeyKVOLNYMTBUKNPT-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.48
Rot. Bonds7

About 4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80813471) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80813471
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCCOCC(C)Nc1ncnc(NC)c1C(C)C
InChIInChI=1S/C13H24N4O/c1-6-18-7-10(4)17-13-11(9(2)3)12(14-5)15-8-16-13/h8-10H,6-7H2,1-5H3,(H2,14,15,16,17)
InChIKeyKVOLNYMTBUKNPT-UHFFFAOYSA-N
XLogP2.48
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-methyl-4-N-(3-methylpentan-2-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804161
6-N-methyl-5-propan-2-yl-4-N-(1-pyrazol-1-ylpropan-2-yl)pyrimidine-4,6-diamine
CID 80808626
3-methyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]butan-1-ol
CID 80848028
N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80860283
N-ethyl-2-[[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanamide
CID 80800935
6-N-methyl-4-N-(3-methylpentan-3-yl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 106332068
N-(1-ethoxypropan-2-yl)-1,2,4-thiadiazol-5-amine
CID 65277008
4-N-butan-2-yl-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80765380
4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80765370
6-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80786302
6-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80838517
6-(1-ethoxypropan-2-yloxy)-N-ethyl-5-propan-2-ylpyrimidin-4-amine
CID 103491655

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80813471) is 4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is CCOCC(C)Nc1ncnc(NC)c1C(C)C.
What is the InChIKey of 4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is KVOLNYMTBUKNPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-18-7-10(4)17-13-11(9(2)3)12(14-5)15-8-16-13/h8-10H,6-7H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-ethoxypropan-2-yl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80813471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).