N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine

C12H22N4O — CID 107323665

IUPACN'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
SMILESCC(C)Oc1ccnc(NCCCCCN)n1
InChIInChI=1S/C12H22N4O/c1-10(2)17-11-6-9-15-12(16-11)14-8-5-3-4-7-13/h6,9-10H,3-5,7-8,13H2,1-2H3,(H,14,15,16)
InChIKeyNFAPRWMSJYCXFB-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.80
Rot. Bonds8

About N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine

N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine (PubChem CID 107323665) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine.

Molecular Properties

Compound NameN'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
PubChem CID107323665
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
SMILESCC(C)Oc1ccnc(NCCCCCN)n1
InChIInChI=1S/C12H22N4O/c1-10(2)17-11-6-9-15-12(16-11)14-8-5-3-4-7-13/h6,9-10H,3-5,7-8,13H2,1-2H3,(H,14,15,16)
InChIKeyNFAPRWMSJYCXFB-UHFFFAOYSA-N
XLogP1.80
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
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)pentane-1,5-diamine?
The IUPAC name of N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine (CID 107323665) is N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine.
What is the SMILES notation for N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine?
The canonical SMILES for N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine is CC(C)Oc1ccnc(NCCCCCN)n1.
What is the InChIKey of N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine?
The InChIKey is NFAPRWMSJYCXFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(2)17-11-6-9-15-12(16-11)14-8-5-3-4-7-13/h6,9-10H,3-5,7-8,13H2,1-2H3,(H,14,15,16).
What are the key properties of N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine?
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.80, 8 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)pentane-1,5-diamine is sourced from PubChem (CID 107323665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).