N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine

C13H21N3O3 — CID 104762705

IUPACN-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCOC1(CNc2nccc(OC(C)C)n2)CCOC1
InChIInChI=1S/C13H21N3O3/c1-10(2)19-11-4-6-14-12(16-11)15-8-13(17-3)5-7-18-9-13/h4,6,10H,5,7-9H2,1-3H3,(H,14,15,16)
InChIKeyLLANGBLGUJESQZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.48
Rot. Bonds6

About N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine

N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine (PubChem CID 104762705) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
PubChem CID104762705
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
SMILESCOC1(CNc2nccc(OC(C)C)n2)CCOC1
InChIInChI=1S/C13H21N3O3/c1-10(2)19-11-4-6-14-12(16-11)15-8-13(17-3)5-7-18-9-13/h4,6,10H,5,7-9H2,1-3H3,(H,14,15,16)
InChIKeyLLANGBLGUJESQZ-UHFFFAOYSA-N
XLogP1.48
TPSA65.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-methoxyoxolan-3-yl)methyl]-4-(trifluoromethyl)pyrimidin-2-amine
CID 104705614
2-methyl-3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102253
N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 115975246
N-[(2-methylthiolan-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638297
2-fluoro-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-4-amine
CID 104764554
4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine
CID 112637442
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
N-(2-morpholin-4-ylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636541
methyl 4-[(3-methoxyoxolan-3-yl)methylamino]pyrimidine-2-carboxylate
CID 104762745
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
6-methoxy-N-[(3-methoxyoxolan-3-yl)methyl]pyridin-2-amine
CID 104762670
(1R,3R)-1-[(4-propan-2-yloxypyrimidin-2-yl)amino]-7-oxaspiro[3.5]nonan-3-ol
CID 167870410

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The IUPAC name of N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine (CID 104762705) is N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The canonical SMILES for N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine is COC1(CNc2nccc(OC(C)C)n2)CCOC1.
What is the InChIKey of N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
The InChIKey is LLANGBLGUJESQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-10(2)19-11-4-6-14-12(16-11)15-8-13(17-3)5-7-18-9-13/h4,6,10H,5,7-9H2,1-3H3,(H,14,15,16).
What are the key properties of N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine?
N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine has a molecular weight of 267.33 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyoxolan-3-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 104762705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).