1-[(2R,3R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine

C14H22FN3O3 — CID 58287901

IUPAC1-[(2R,3R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine
SMILESC=C1N=C(N)C(C)=CN1[C@@H]1O[C@H](COC)C(OC)[C@@]1(C)F
InChIInChI=1S/C14H22FN3O3/c1-8-6-18(9(2)17-12(8)16)13-14(3,15)11(20-5)10(21-13)7-19-4/h6,10-11,13H,2,7H2,1,3-5H3,(H2,16,17)/t10-,11?,13-,14-/m1/s1
InChIKeyAOPJHJFUZDRJGR-ADAFVFBTSA-N
MW299.35 g/mol
LogP1.15
Rot. Bonds4

About 1-[(2R,3R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine

1-[(2R,3R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine (PubChem CID 58287901) has the molecular formula C14H22FN3O3 and a molecular weight of 299.35 g/mol. Its IUPAC name is 1-[(2R,3R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine.

Molecular Properties

Compound Name1-[(2R,3R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine
PubChem CID58287901
Molecular FormulaC14H22FN3O3
Molecular Weight299.35 g/mol
Exact Mass299.16
IUPAC Name1-[(2R,3R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine
SMILESC=C1N=C(N)C(C)=CN1[C@@H]1O[C@H](COC)C(OC)[C@@]1(C)F
InChIInChI=1S/C14H22FN3O3/c1-8-6-18(9(2)17-12(8)16)13-14(3,15)11(20-5)10(21-13)7-19-4/h6,10-11,13H,2,7H2,1,3-5H3,(H2,16,17)/t10-,11?,13-,14-/m1/s1
InChIKeyAOPJHJFUZDRJGR-ADAFVFBTSA-N
XLogP1.15
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine?
The IUPAC name of 1-[(2R,3R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine (CID 58287901) is 1-[(2R,3R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine.
What is the SMILES notation for 1-[(2R,3R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine?
The canonical SMILES for 1-[(2R,3R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine is C=C1N=C(N)C(C)=CN1[C@@H]1O[C@H](COC)C(OC)[C@@]1(C)F.
What is the InChIKey of 1-[(2R,3R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine?
The InChIKey is AOPJHJFUZDRJGR-ADAFVFBTSA-N. The full InChI is InChI=1S/C14H22FN3O3/c1-8-6-18(9(2)17-12(8)16)13-14(3,15)11(20-5)10(21-13)7-19-4/h6,10-11,13H,2,7H2,1,3-5H3,(H2,16,17)/t10-,11?,13-,14-/m1/s1.
What are the key properties of 1-[(2R,3R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine?
1-[(2R,3R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine has a molecular weight of 299.35 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R,5R)-3-fluoro-4-methoxy-5-(methoxymethyl)-3-methyloxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine is sourced from PubChem (CID 58287901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).