1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine

C15H28N4O — CID 115974718

IUPAC1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine
SMILESCCCOc1cc(C)nc(NC(CN(C)C)C(C)C)n1
InChIInChI=1S/C15H28N4O/c1-7-8-20-14-9-12(4)16-15(18-14)17-13(11(2)3)10-19(5)6/h9,11,13H,7-8,10H2,1-6H3,(H,16,17,18)
InChIKeyYYIPVIROYZDGSQ-UHFFFAOYSA-N
MW280.42 g/mol
LogP2.57
Rot. Bonds8

About 1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine

1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine (PubChem CID 115974718) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine
PubChem CID115974718
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine
SMILESCCCOc1cc(C)nc(NC(CN(C)C)C(C)C)n1
InChIInChI=1S/C15H28N4O/c1-7-8-20-14-9-12(4)16-15(18-14)17-13(11(2)3)10-19(5)6/h9,11,13H,7-8,10H2,1-6H3,(H,16,17,18)
InChIKeyYYIPVIROYZDGSQ-UHFFFAOYSA-N
XLogP2.57
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine with MolForge

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Related Compounds

1-N,1-N,4-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)pentane-1,2-diamine
CID 115974797
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424
(2S)-2-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]-3-methylbutan-1-ol
CID 114982569
2-N-[1-(dimethylamino)-3-methylbutan-2-yl]-4-N-methyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80783446
N-hexan-3-yl-4-methyl-6-propoxypyrimidin-2-amine
CID 112637434
N-[1-(4-fluorophenyl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 115974734
3-methoxy-2-[(4-methyl-6-propoxypyrimidin-2-yl)amino]propan-1-ol
CID 114156370
4-methyl-N-(1-phenylpropyl)-6-propoxypyrimidin-2-amine
CID 115974921
4-methyl-6-propoxy-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrimidin-2-amine
CID 106282926
4-methyl-6-propoxy-N-[1-(1,3-thiazol-2-yl)ethyl]pyrimidin-2-amine
CID 112637867
4-N-[1-(dimethylamino)-3-methylbutan-2-yl]-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80800452

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine?
The IUPAC name of 1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine (CID 115974718) is 1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine.
What is the SMILES notation for 1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine?
The canonical SMILES for 1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine is CCCOc1cc(C)nc(NC(CN(C)C)C(C)C)n1.
What is the InChIKey of 1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine?
The InChIKey is YYIPVIROYZDGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-7-8-20-14-9-12(4)16-15(18-14)17-13(11(2)3)10-19(5)6/h9,11,13H,7-8,10H2,1-6H3,(H,16,17,18).
What are the key properties of 1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine?
1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine has a molecular weight of 280.42 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine is sourced from PubChem (CID 115974718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).