N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine

C15H26N4O4 — CID 91761529

IUPACN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine
SMILESCOc1cc(N[C@@H]2CCOC[C@H]2OCCN(C)C)nc(OC)n1
InChIInChI=1S/C15H26N4O4/c1-19(2)6-8-23-12-10-22-7-5-11(12)16-13-9-14(20-3)18-15(17-13)21-4/h9,11-12H,5-8,10H2,1-4H3,(H,16,17,18)/t11-,12-/m1/s1
InChIKeyBIEUSLMDSGUDBI-VXGBXAGGSA-N
MW326.40 g/mol
LogP0.64
Rot. Bonds8

About N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine

N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine (PubChem CID 91761529) has the molecular formula C15H26N4O4 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine.

Molecular Properties

Compound NameN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine
PubChem CID91761529
Molecular FormulaC15H26N4O4
Molecular Weight326.40 g/mol
Exact Mass326.20
IUPAC NameN-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine
SMILESCOc1cc(N[C@@H]2CCOC[C@H]2OCCN(C)C)nc(OC)n1
InChIInChI=1S/C15H26N4O4/c1-19(2)6-8-23-12-10-22-7-5-11(12)16-13-9-14(20-3)18-15(17-13)21-4/h9,11-12H,5-8,10H2,1-4H3,(H,16,17,18)/t11-,12-/m1/s1
InChIKeyBIEUSLMDSGUDBI-VXGBXAGGSA-N
XLogP0.64
TPSA77.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine?
The IUPAC name of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine (CID 91761529) is N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine.
What is the SMILES notation for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine?
The canonical SMILES for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine is COc1cc(N[C@@H]2CCOC[C@H]2OCCN(C)C)nc(OC)n1.
What is the InChIKey of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine?
The InChIKey is BIEUSLMDSGUDBI-VXGBXAGGSA-N. The full InChI is InChI=1S/C15H26N4O4/c1-19(2)6-8-23-12-10-22-7-5-11(12)16-13-9-14(20-3)18-15(17-13)21-4/h9,11-12H,5-8,10H2,1-4H3,(H,16,17,18)/t11-,12-/m1/s1.
What are the key properties of N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine?
N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine has a molecular weight of 326.40 g/mol, XLogP of 0.64, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-3-[2-(dimethylamino)ethoxy]oxan-4-yl]-2,6-dimethoxypyrimidin-4-amine is sourced from PubChem (CID 91761529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).