N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine

C13H21N3O2 — CID 112638214

IUPACN-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCC2(C)CCCO2)n1
InChIInChI=1S/C13H21N3O2/c1-3-8-17-11-5-7-14-12(16-11)15-10-13(2)6-4-9-18-13/h5,7H,3-4,6,8-10H2,1-2H3,(H,14,15,16)
InChIKeyXMJJTMLJUNZCJA-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.25
Rot. Bonds6

About N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine

N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine (PubChem CID 112638214) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine
PubChem CID112638214
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine
SMILESCCCOc1ccnc(NCC2(C)CCCO2)n1
InChIInChI=1S/C13H21N3O2/c1-3-8-17-11-5-7-14-12(16-11)15-10-13(2)6-4-9-18-13/h5,7H,3-4,6,8-10H2,1-2H3,(H,14,15,16)
InChIKeyXMJJTMLJUNZCJA-UHFFFAOYSA-N
XLogP2.25
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-[(2-methyloxolan-2-yl)methyl]-6-propoxypyrimidin-2-amine
CID 112638216
N-[[1-(aminomethyl)cyclohexyl]methyl]-4-propoxypyrimidin-2-amine
CID 103970456
N-[(1,4-dimethylpiperidin-4-yl)methyl]-4-propoxypyrimidin-2-amine
CID 107164370
1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclobutane-1-carboxylic acid
CID 112636230
4-methyl-1-[[(4-propoxypyrimidin-2-yl)amino]methyl]cyclohexan-1-ol
CID 115975138
[1-[(4-propoxypyrimidin-2-yl)amino]cyclohexyl]methanol
CID 112637519
N-(3-methylbut-2-enyl)-4-propoxypyrimidin-2-amine
CID 106191641
N-(2,2-dimethylcyclopentyl)-4-propoxypyrimidin-2-amine
CID 112638202
4-propoxy-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidin-2-amine
CID 112638177
N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 106013343
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
6-chloro-2-N-[(2-methyloxolan-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80855459

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine?
The IUPAC name of N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine (CID 112638214) is N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine.
What is the SMILES notation for N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine?
The canonical SMILES for N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine is CCCOc1ccnc(NCC2(C)CCCO2)n1.
What is the InChIKey of N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine?
The InChIKey is XMJJTMLJUNZCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-8-17-11-5-7-14-12(16-11)15-10-13(2)6-4-9-18-13/h5,7H,3-4,6,8-10H2,1-2H3,(H,14,15,16).
What are the key properties of N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine?
N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine has a molecular weight of 251.33 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyloxolan-2-yl)methyl]-4-propoxypyrimidin-2-amine is sourced from PubChem (CID 112638214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).