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

C13H24N4O — CID 114008164

IUPACN'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
SMILESCC(C)Oc1ccnc(NCCCCCCN)n1
InChIInChI=1S/C13H24N4O/c1-11(2)18-12-7-10-16-13(17-12)15-9-6-4-3-5-8-14/h7,10-11H,3-6,8-9,14H2,1-2H3,(H,15,16,17)
InChIKeyIBQIUGMXPGUYOT-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.19
Rot. Bonds9

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

N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine (PubChem CID 114008164) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
PubChem CID114008164
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
SMILESCC(C)Oc1ccnc(NCCCCCCN)n1
InChIInChI=1S/C13H24N4O/c1-11(2)18-12-7-10-16-13(17-12)15-9-6-4-3-5-8-14/h7,10-11H,3-6,8-9,14H2,1-2H3,(H,15,16,17)
InChIKeyIBQIUGMXPGUYOT-UHFFFAOYSA-N
XLogP2.19
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.19
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'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665
2-methyl-N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 114151108
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
N-[2-(2-aminoethoxy)ethyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639457
6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid
CID 112635945
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
N-[[4-(2-aminoethyl)phenyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975353
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
N-(2-piperidin-1-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112637281
2,2-difluoro-N'-(4-propan-2-yloxypyrimidin-2-yl)propane-1,3-diamine
CID 114384250
N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638872

Frequently Asked Questions

What is the IUPAC name of N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine?
The IUPAC name of N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine (CID 114008164) is N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine?
The canonical SMILES for N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine is CC(C)Oc1ccnc(NCCCCCCN)n1.
What is the InChIKey of N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine?
The InChIKey is IBQIUGMXPGUYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-11(2)18-12-7-10-16-13(17-12)15-9-6-4-3-5-8-14/h7,10-11H,3-6,8-9,14H2,1-2H3,(H,15,16,17).
What are the key properties of N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine?
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine is sourced from PubChem (CID 114008164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).