4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine

C15H26N4O2 — CID 82457921

IUPAC4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(C2CCCO2)nc(NCC(C)C)c1N
InChIInChI=1S/C15H26N4O2/c1-4-7-21-15-12(16)14(17-9-10(2)3)18-13(19-15)11-6-5-8-20-11/h10-11H,4-9,16H2,1-3H3,(H,17,18,19)
InChIKeyNMNAUVBUZBIPPY-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.77
Rot. Bonds7

About 4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine

4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine (PubChem CID 82457921) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine
PubChem CID82457921
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine
SMILESCCCOc1nc(C2CCCO2)nc(NCC(C)C)c1N
InChIInChI=1S/C15H26N4O2/c1-4-7-21-15-12(16)14(17-9-10(2)3)18-13(19-15)11-6-5-8-20-11/h10-11H,4-9,16H2,1-3H3,(H,17,18,19)
InChIKeyNMNAUVBUZBIPPY-UHFFFAOYSA-N
XLogP2.77
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine?
The IUPAC name of 4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine (CID 82457921) is 4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine?
The canonical SMILES for 4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine is CCCOc1nc(C2CCCO2)nc(NCC(C)C)c1N.
What is the InChIKey of 4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine?
The InChIKey is NMNAUVBUZBIPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-7-21-15-12(16)14(17-9-10(2)3)18-13(19-15)11-6-5-8-20-11/h10-11H,4-9,16H2,1-3H3,(H,17,18,19).
What are the key properties of 4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine?
4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine has a molecular weight of 294.40 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylpropyl)-2-(oxolan-2-yl)-6-propoxypyrimidine-4,5-diamine is sourced from PubChem (CID 82457921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).