N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine

C13H21N3O2 — CID 80860410

IUPACN,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine
SMILESCCNc1ncnc(OCC2CCCO2)c1CC
InChIInChI=1S/C13H21N3O2/c1-3-11-12(14-4-2)15-9-16-13(11)18-8-10-6-5-7-17-10/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeySJMGZIRAQQDDEM-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.03
Rot. Bonds6

About N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine

N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine (PubChem CID 80860410) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine.

Molecular Properties

Compound NameN,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine
PubChem CID80860410
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine
SMILESCCNc1ncnc(OCC2CCCO2)c1CC
InChIInChI=1S/C13H21N3O2/c1-3-11-12(14-4-2)15-9-16-13(11)18-8-10-6-5-7-17-10/h9-10H,3-8H2,1-2H3,(H,14,15,16)
InChIKeySJMGZIRAQQDDEM-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(oxolan-2-ylmethoxy)-5-propylpyrimidin-4-yl]hydrazine
CID 80912557
N-ethyl-5-nitro-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine
CID 80859792
6-(cyclopentylmethoxy)-N,5-diethylpyrimidin-4-amine
CID 80877477
6-(oxolan-2-ylmethoxy)-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 80859543
6-(2-cyclopropylethoxy)-N,5-diethylpyrimidin-4-amine
CID 106207529
5-ethyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80772495
5-ethyl-6-hydrazinyl-N-(oxan-2-ylmethyl)pyrimidin-4-amine
CID 80902329
4-chloro-5-methyl-6-(oxan-2-ylmethoxy)pyrimidine
CID 63736573
N-ethyl-6-(oxolan-2-ylmethoxy)pyrazin-2-amine
CID 80860142
N,5-diethyl-6-heptoxypyrimidin-4-amine
CID 80862239
2-ethyl-5-methyl-6-(oxolan-2-ylmethoxy)-N-propylpyrimidin-4-amine
CID 80989749
6-N-ethyl-5-nitro-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80812756

Frequently Asked Questions

What is the IUPAC name of N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine?
The IUPAC name of N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine (CID 80860410) is N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine.
What is the SMILES notation for N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine?
The canonical SMILES for N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine is CCNc1ncnc(OCC2CCCO2)c1CC.
What is the InChIKey of N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine?
The InChIKey is SJMGZIRAQQDDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-11-12(14-4-2)15-9-16-13(11)18-8-10-6-5-7-17-10/h9-10H,3-8H2,1-2H3,(H,14,15,16).
What are the key properties of N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine?
N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine is sourced from PubChem (CID 80860410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).