1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine

C14H26N4O — CID 112637409

IUPAC1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1nccc(OC(C)C)n1
InChIInChI=1S/C14H26N4O/c1-6-18(7-2)10-12(5)16-14-15-9-8-13(17-14)19-11(3)4/h8-9,11-12H,6-7,10H2,1-5H3,(H,15,16,17)
InChIKeyGVKLOYKJOHQWOP-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.41
Rot. Bonds8

About 1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine

1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine (PubChem CID 112637409) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
PubChem CID112637409
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
SMILESCCN(CC)CC(C)Nc1nccc(OC(C)C)n1
InChIInChI=1S/C14H26N4O/c1-6-18(7-2)10-12(5)16-14-15-9-8-13(17-14)19-11(3)4/h8-9,11-12H,6-7,10H2,1-5H3,(H,15,16,17)
InChIKeyGVKLOYKJOHQWOP-UHFFFAOYSA-N
XLogP2.41
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639274
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol
CID 112638478
1-N,1-N-diethyl-2-N-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine
CID 115974900
N-(1-cyclopropylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637761
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-[1-(furan-2-yl)propan-2-yl]-4-propan-2-yloxypyrimidin-2-amine
CID 112636994
N-(1-piperidin-1-ylpropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 115974723
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
N-(1-chloropropan-2-yl)-4-ethoxypyrimidin-2-amine
CID 112639273
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
N,N'-diethyl-N'-(4-propan-2-yloxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639135
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112636247

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine?
The IUPAC name of 1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine (CID 112637409) is 1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine?
The canonical SMILES for 1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine is CCN(CC)CC(C)Nc1nccc(OC(C)C)n1.
What is the InChIKey of 1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine?
The InChIKey is GVKLOYKJOHQWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-18(7-2)10-12(5)16-14-15-9-8-13(17-14)19-11(3)4/h8-9,11-12H,6-7,10H2,1-5H3,(H,15,16,17).
What are the key properties of 1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine?
1-N,1-N-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine has a molecular weight of 266.39 g/mol, XLogP of 2.41, 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-diethyl-2-N-(4-propan-2-yloxypyrimidin-2-yl)propane-1,2-diamine is sourced from PubChem (CID 112637409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).