4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine

C12H20N4O — CID 82736136

IUPAC4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NC2CCOC2C)n1
InChIInChI=1S/C12H20N4O/c1-3-4-11-15-10(13)7-12(16-11)14-9-5-6-17-8(9)2/h7-9H,3-6H2,1-2H3,(H3,13,14,15,16)
InChIKeyXTKJQCZUKNVHIQ-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.60
Rot. Bonds4

About 4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine

4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine (PubChem CID 82736136) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine
PubChem CID82736136
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine
SMILESCCCc1nc(N)cc(NC2CCOC2C)n1
InChIInChI=1S/C12H20N4O/c1-3-4-11-15-10(13)7-12(16-11)14-9-5-6-17-8(9)2/h7-9H,3-6H2,1-2H3,(H3,13,14,15,16)
InChIKeyXTKJQCZUKNVHIQ-UHFFFAOYSA-N
XLogP1.60
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine (CID 82736136) is 4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine is CCCc1nc(N)cc(NC2CCOC2C)n1.
What is the InChIKey of 4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine?
The InChIKey is XTKJQCZUKNVHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-4-11-15-10(13)7-12(16-11)14-9-5-6-17-8(9)2/h7-9H,3-6H2,1-2H3,(H3,13,14,15,16).
What are the key properties of 4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine?
4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methyloxolan-3-yl)-2-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 82736136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).