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

Analyze 4-N-(2-methyloxolan-3-yl)-2-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

Related Compounds

(R)-2-(4-amino-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidin-2-ylamino)ethanol
CID 54585776
(R)-2-(2-amino-6-(3-(methylamino)pyrrolidin-1-yl)pyrimidin-4-ylamino)ethanol
CID 54586765
rac-4-[(3R,4S)-3-amino-4-methoxypyrrolidin-1-yl]-N-methylpyrimidin-2-amine
CID 145874812
6-N-cyclopropyl-4-N-methyl-4-N-[[(2R)-oxan-2-yl]methyl]pyrimidine-2,4,6-triamine
CID 95122020
6-N-(cyclopropylmethyl)-4-N-[[(2S,4S)-4-methoxy-1-methylpyrrolidin-2-yl]methyl]-4-N-methylpyrimidine-4,6-diamine
CID 128979215
4-N-ethyl-4-N-methyl-6-N-[1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]pyrimidine-4,6-diamine
CID 171359760
N-[[(2R)-1,4-oxazepan-2-yl]methyl]-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 171359849
(R)-6-fluoro-2-((1-methylpyrrolidin-3-yl)oxy)pyrimidin-4-amine
CID 118936944
6-Fluoro-2-(1-methylpyrrolidin-3-yl)oxypyrimidin-4-amine
CID 118936947
6-fluoro-4-N-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 162778366
6-fluoro-4-N-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 175447655
6-N-ethyl-4-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4,6-triamine
CID 80845407

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).