6-hexoxy-2-propylpyrimidin-4-amine

C13H23N3O — CID 80949907

IUPAC6-hexoxy-2-propylpyrimidin-4-amine
SMILESCCCCCCOc1cc(N)nc(CCC)n1
InChIInChI=1S/C13H23N3O/c1-3-5-6-7-9-17-13-10-11(14)15-12(16-13)8-4-2/h10H,3-9H2,1-2H3,(H2,14,15,16)
InChIKeyUVCKTTXSOYVPCD-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.97
Rot. Bonds8

About 6-hexoxy-2-propylpyrimidin-4-amine

6-hexoxy-2-propylpyrimidin-4-amine (PubChem CID 80949907) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 6-hexoxy-2-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-hexoxy-2-propylpyrimidin-4-amine
PubChem CID80949907
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name6-hexoxy-2-propylpyrimidin-4-amine
SMILESCCCCCCOc1cc(N)nc(CCC)n1
InChIInChI=1S/C13H23N3O/c1-3-5-6-7-9-17-13-10-11(14)15-12(16-13)8-4-2/h10H,3-9H2,1-2H3,(H2,14,15,16)
InChIKeyUVCKTTXSOYVPCD-UHFFFAOYSA-N
XLogP2.97
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-hexoxy-2-propylpyrimidin-4-amine 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

6-heptoxy-2-(methoxymethyl)pyrimidin-4-amine
CID 113401616
6-[3-(2-methoxyethoxy)propoxy]-2-propylpyrimidin-4-amine
CID 103408442
4-chloro-6-pentoxy-2-propylpyrimidine
CID 80939155
N-ethyl-6-heptoxy-2-propylpyrimidin-4-amine
CID 80950198
N-ethyl-6-hexoxy-2-propylpyrimidin-4-amine
CID 80950123
6-octan-2-yloxy-2-propylpyrimidin-4-amine
CID 80949905
2-propyl-6-(2-thiophen-2-ylethoxy)pyrimidin-4-amine
CID 80949925
2-propylpyrimidine-4,6-diamine
CID 67304918
6-(2-propoxyphenoxy)-2-propylpyrimidin-4-amine
CID 80942785
6-butoxy-N-hexyl-2-propylpyrimidin-4-amine
CID 82454392
6-hexoxy-4-(trifluoromethyl)pyridin-2-amine
CID 102719653
4-N-decyl-2-propylpyrimidine-4,6-diamine
CID 80943780

Frequently Asked Questions

What is the IUPAC name of 6-hexoxy-2-propylpyrimidin-4-amine?
The IUPAC name of 6-hexoxy-2-propylpyrimidin-4-amine (CID 80949907) is 6-hexoxy-2-propylpyrimidin-4-amine.
What is the SMILES notation for 6-hexoxy-2-propylpyrimidin-4-amine?
The canonical SMILES for 6-hexoxy-2-propylpyrimidin-4-amine is CCCCCCOc1cc(N)nc(CCC)n1.
What is the InChIKey of 6-hexoxy-2-propylpyrimidin-4-amine?
The InChIKey is UVCKTTXSOYVPCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-5-6-7-9-17-13-10-11(14)15-12(16-13)8-4-2/h10H,3-9H2,1-2H3,(H2,14,15,16).
What are the key properties of 6-hexoxy-2-propylpyrimidin-4-amine?
6-hexoxy-2-propylpyrimidin-4-amine has a molecular weight of 237.35 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexoxy-2-propylpyrimidin-4-amine is sourced from PubChem (CID 80949907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).