4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine

C13H24N4O — CID 81068729

IUPAC4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(C)CCOC(C)C)n1
InChIInChI=1S/C13H24N4O/c1-5-6-12-15-11(14)9-13(16-12)17(4)7-8-18-10(2)3/h9-10H,5-8H2,1-4H3,(H2,14,15,16)
InChIKeyQTYSOJGBWFQLFF-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.87
Rot. Bonds7

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

4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine (PubChem CID 81068729) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine
PubChem CID81068729
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(N(C)CCOC(C)C)n1
InChIInChI=1S/C13H24N4O/c1-5-6-12-15-11(14)9-13(16-12)17(4)7-8-18-10(2)3/h9-10H,5-8H2,1-4H3,(H2,14,15,16)
InChIKeyQTYSOJGBWFQLFF-UHFFFAOYSA-N
XLogP1.87
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-hydrazinyl-N-methyl-N-(2-propan-2-yloxyethyl)-2-propylpyrimidin-4-amine
CID 81064970
4-N-methyl-4-N-(2-methylpropyl)-2-propylpyrimidine-4,6-diamine
CID 80954780
4-N-(1-methoxypropan-2-yl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80955011
2-N-methyl-2-N-(2-propan-2-yloxyethyl)pyrazine-2,5-diamine
CID 81067328
2-[(6-amino-2-propylpyrimidin-4-yl)-methylamino]propan-1-ol
CID 104557134
4-N-methyl-4-N-phenyl-2-propylpyrimidine-4,6-diamine
CID 80946499
4-N-methyl-4-N-[(4-methylphenyl)methyl]-2-propylpyrimidine-4,6-diamine
CID 80945206
2-propylpyrimidine-4,6-diamine
CID 67304918
2-[(6-amino-2-propylpyrimidin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 80955354
4-N-[[1-(dimethylamino)cyclobutyl]methyl]-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 105420998
4-N-(4-fluorophenyl)-4-N-methyl-2-propylpyrimidine-4,6-diamine
CID 80954620
3-[[(6-amino-2-propylpyrimidin-4-yl)-methylamino]methyl]cyclobutan-1-ol
CID 80949667

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine (CID 81068729) is 4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(N(C)CCOC(C)C)n1.
What is the InChIKey of 4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is QTYSOJGBWFQLFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-6-12-15-11(14)9-13(16-12)17(4)7-8-18-10(2)3/h9-10H,5-8H2,1-4H3,(H2,14,15,16).
What are the key properties of 4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine?
4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(2-propan-2-yloxyethyl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 81068729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).