4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

C16H26N4O — CID 80840225

IUPAC4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CC3CCC2O3)c1C(C)C
InChIInChI=1S/C16H26N4O/c1-4-7-17-15-14(10(2)3)16(19-9-18-15)20-12-8-11-5-6-13(12)21-11/h9-13H,4-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyHYUDMCRYJYMSQH-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.15
Rot. Bonds6

About 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80840225) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80840225
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NC2CC3CCC2O3)c1C(C)C
InChIInChI=1S/C16H26N4O/c1-4-7-17-15-14(10(2)3)16(19-9-18-15)20-12-8-11-5-6-13(12)21-11/h9-13H,4-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyHYUDMCRYJYMSQH-UHFFFAOYSA-N
XLogP3.15
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 80840225) is 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NC2CC3CCC2O3)c1C(C)C.
What is the InChIKey of 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is HYUDMCRYJYMSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-7-17-15-14(10(2)3)16(19-9-18-15)20-12-8-11-5-6-13(12)21-11/h9-13H,4-8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 290.41 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80840225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).