N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine

C12H22N4O — CID 66334042

IUPACN'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
SMILESCC(C)NCCNc1cc(OC(C)C)ncn1
InChIInChI=1S/C12H22N4O/c1-9(2)13-5-6-14-11-7-12(16-8-15-11)17-10(3)4/h7-10,13H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyBCSMZSOHJLCMPF-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.67
Rot. Bonds7

About N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine

N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine (PubChem CID 66334042) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
PubChem CID66334042
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
SMILESCC(C)NCCNc1cc(OC(C)C)ncn1
InChIInChI=1S/C12H22N4O/c1-9(2)13-5-6-14-11-7-12(16-8-15-11)17-10(3)4/h7-10,13H,5-6H2,1-4H3,(H,14,15,16)
InChIKeyBCSMZSOHJLCMPF-UHFFFAOYSA-N
XLogP1.67
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
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-3-(6-propan-2-yloxypyrimidin-4-yl)oxypropan-1-amine
CID 66332028
N',N'-diethyl-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,3-diamine
CID 66325096
6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319
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
N'-propan-2-yl-N-(6-propan-2-ylpyrimidin-4-yl)ethane-1,2-diamine
CID 62663943
N-[2-(1-methylimidazol-2-yl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66329570
7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid
CID 66333424
6-propan-2-yloxy-N-(2-thiophen-3-ylethyl)pyrimidin-4-amine
CID 66329575
N-[2-(2-fluorophenyl)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66325709
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

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine (CID 66334042) is N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine is CC(C)NCCNc1cc(OC(C)C)ncn1.
What is the InChIKey of N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine?
The InChIKey is BCSMZSOHJLCMPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(2)13-5-6-14-11-7-12(16-8-15-11)17-10(3)4/h7-10,13H,5-6H2,1-4H3,(H,14,15,16).
What are the key properties of N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine?
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 66334042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).