N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine

C13H21N3O2 — CID 80965962

IUPACN-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(OCC2CCCO2)nc(C(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)13-15-11(14-3)7-12(16-13)18-8-10-5-4-6-17-10/h7,9-10H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyNYPQJWBNYJYFFF-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.20
Rot. Bonds5

About N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine

N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80965962) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine
PubChem CID80965962
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1cc(OCC2CCCO2)nc(C(C)C)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)13-15-11(14-3)7-12(16-13)18-8-10-5-4-6-17-10/h7,9-10H,4-6,8H2,1-3H3,(H,14,15,16)
InChIKeyNYPQJWBNYJYFFF-UHFFFAOYSA-N
XLogP2.20
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(oxolan-2-ylmethoxy)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80966071
4-N-methyl-6-(oxolan-2-ylmethoxy)pyrimidine-2,4-diamine
CID 80859711
N-methyl-6-(oxolan-2-ylmethoxy)-4-(trifluoromethyl)pyridin-2-amine
CID 102719727
6-methyl-N-(oxolan-2-ylmethyl)-2-propan-2-ylpyrimidin-4-amine
CID 43395188
[6-(oxolan-2-ylmethoxy)pyrimidin-4-yl]hydrazine
CID 80911477
6-(3,4-dimethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80962707
6-(2-ethylcyclohexyl)oxy-N-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80966709
N-methyl-6-(2,2,3,3,3-pentafluoropropoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80963004
N-cyclopentyl-6-(2-methylpropoxy)-2-propan-2-ylpyrimidin-4-amine
CID 82454241
4-chloro-2-methylsulfanyl-6-(oxolan-2-ylmethoxy)pyrimidine
CID 80544680
N-ethyl-6-(oxolan-2-ylmethoxy)pyrazin-2-amine
CID 80860142
N-[[6-(oxolan-2-ylmethoxy)-3-pyridinyl]methyl]propan-2-amine
CID 62291428

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine (CID 80965962) is N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine is CNc1cc(OCC2CCCO2)nc(C(C)C)n1.
What is the InChIKey of N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is NYPQJWBNYJYFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)13-15-11(14-3)7-12(16-13)18-8-10-5-4-6-17-10/h7,9-10H,4-6,8H2,1-3H3,(H,14,15,16).
What are the key properties of N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine?
N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 251.33 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(oxolan-2-ylmethoxy)-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80965962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).