N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine

C14H26N4O — CID 66325096

IUPACN',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1cc(OC(C)C)ncn1
InChIInChI=1S/C14H26N4O/c1-5-18(6-2)9-7-8-15-13-10-14(17-11-16-13)19-12(3)4/h10-12H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyZEAHSIJSBZSGCQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.41
Rot. Bonds9

About N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine

N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine (PubChem CID 66325096) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
PubChem CID66325096
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
SMILESCCN(CC)CCCNc1cc(OC(C)C)ncn1
InChIInChI=1S/C14H26N4O/c1-5-18(6-2)9-7-8-15-13-10-14(17-11-16-13)19-12(3)4/h10-12H,5-9H2,1-4H3,(H,15,16,17)
InChIKeyZEAHSIJSBZSGCQ-UHFFFAOYSA-N
XLogP2.41
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid
CID 66333424
N-(6-methoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 66324958
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319
N',N'-dimethyl-N-(6-propan-2-ylpyrimidin-4-yl)propane-1,3-diamine
CID 61240740
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 66329217
2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine
CID 113283234
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115719
N-[2-(4-aminophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66331408
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
1-N,1-N-dimethyl-2-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,2-diamine
CID 82938650
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66329570

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine (CID 66325096) is N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine is CCN(CC)CCCNc1cc(OC(C)C)ncn1.
What is the InChIKey of N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine?
The InChIKey is ZEAHSIJSBZSGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-18(6-2)9-7-8-15-13-10-14(17-11-16-13)19-12(3)4/h10-12H,5-9H2,1-4H3,(H,15,16,17).
What are the key properties of N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine?
N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine has a molecular weight of 266.39 g/mol, XLogP of 2.41, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 66325096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).