1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine

C14H23N3O4 — CID 58287889

IUPAC1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine
SMILESC=C1N=C(N)C(C)=CN1[C@@H]1O[C@H](COC)C(OC)[C@@H]1OC
InChIInChI=1S/C14H23N3O4/c1-8-6-17(9(2)16-13(8)15)14-12(20-5)11(19-4)10(21-14)7-18-3/h6,10-12,14H,2,7H2,1,3-5H3,(H2,15,16)/t10-,11?,12+,14-/m1/s1
InChIKeyGHWIOPINDYBKOK-VFJKSUPXSA-N
MW297.36 g/mol
LogP0.44
Rot. Bonds5

About 1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine

1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine (PubChem CID 58287889) has the molecular formula C14H23N3O4 and a molecular weight of 297.36 g/mol. Its IUPAC name is 1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine.

Molecular Properties

Compound Name1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine
PubChem CID58287889
Molecular FormulaC14H23N3O4
Molecular Weight297.36 g/mol
Exact Mass297.17
IUPAC Name1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine
SMILESC=C1N=C(N)C(C)=CN1[C@@H]1O[C@H](COC)C(OC)[C@@H]1OC
InChIInChI=1S/C14H23N3O4/c1-8-6-17(9(2)16-13(8)15)14-12(20-5)11(19-4)10(21-14)7-18-3/h6,10-12,14H,2,7H2,1,3-5H3,(H2,15,16)/t10-,11?,12+,14-/m1/s1
InChIKeyGHWIOPINDYBKOK-VFJKSUPXSA-N
XLogP0.44
TPSA78.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine?
The IUPAC name of 1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine (CID 58287889) is 1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine.
What is the SMILES notation for 1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine?
The canonical SMILES for 1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-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@@H]1OC.
What is the InChIKey of 1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine?
The InChIKey is GHWIOPINDYBKOK-VFJKSUPXSA-N. The full InChI is InChI=1S/C14H23N3O4/c1-8-6-17(9(2)16-13(8)15)14-12(20-5)11(19-4)10(21-14)7-18-3/h6,10-12,14H,2,7H2,1,3-5H3,(H2,15,16)/t10-,11?,12+,14-/m1/s1.
What are the key properties of 1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine?
1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine has a molecular weight of 297.36 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S,5R)-3,4-dimethoxy-5-(methoxymethyl)oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-amine is sourced from PubChem (CID 58287889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).