(3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol

C20H27N5O5 — CID 142669009

IUPAC(3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol
SMILESNc1nc(OCCN2CCOCC2)cc(-c2cc(N3C[C@H](O)[C@@H](O)C3)ccc2O)n1
InChIInChI=1S/C20H27N5O5/c21-20-22-15(10-19(23-20)30-8-5-24-3-6-29-7-4-24)14-9-13(1-2-16(14)26)25-11-17(27)18(28)12-25/h1-2,9-10,17-18,26-28H,3-8,11-12H2,(H2,21,22,23)/t17-,18-/m0/s1
InChIKeyATBYSLIFVJOZNT-ROUUACIJSA-N
MW417.47 g/mol
LogP-0.32
Rot. Bonds6

About (3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol

(3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol (PubChem CID 142669009) has the molecular formula C20H27N5O5 and a molecular weight of 417.47 g/mol. Its IUPAC name is (3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name(3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol
PubChem CID142669009
Molecular FormulaC20H27N5O5
Molecular Weight417.47 g/mol
Exact Mass417.20
IUPAC Name(3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol
SMILESNc1nc(OCCN2CCOCC2)cc(-c2cc(N3C[C@H](O)[C@@H](O)C3)ccc2O)n1
InChIInChI=1S/C20H27N5O5/c21-20-22-15(10-19(23-20)30-8-5-24-3-6-29-7-4-24)14-9-13(1-2-16(14)26)25-11-17(27)18(28)12-25/h1-2,9-10,17-18,26-28H,3-8,11-12H2,(H2,21,22,23)/t17-,18-/m0/s1
InChIKeyATBYSLIFVJOZNT-ROUUACIJSA-N
XLogP-0.32
TPSA137.43 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 5-0.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze (3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol with MolForge

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Launch Full Analysis

Related Compounds

[3-[2-amino-6-[2-(4-methylpiperazin-1-yl)ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 135525430
2-[2-amino-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]-4-(4-hydroxyphenyl)phenol
CID 135433099
[3-[2-amino-6-[2-[4-(1-hydroxyethyl)piperazin-1-yl]ethoxy]pyrimidin-4-yl]-4-hydroxyphenyl]-(2-fluoro-4-methylphenyl)methanone
CID 136649172
4-chloro-6-[2,4-dichloro-5-(2-morpholin-4-ylethoxy)phenyl]pyrimidin-2-amine
CID 46861553
6-(2-morpholin-4-ylethoxy)-2-pyridin-4-ylpyrimidin-4-amine
CID 143229854
6-(2-pyrrolidin-1-ylethoxy)pyrimidine-2,4-diamine
CID 80870818
N-methyl-4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 143049464
4-[[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyrimidin-2-yl]methyldiazenyl]phenol
CID 136653620
ethane;molecular hydrogen;6-(2-morpholin-4-ylethoxy)-4-N,4-N-dipropylpyridine-2,4-diamine
CID 143340801
2H-indazol-3-ylmethanimine;4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)pyridin-2-amine
CID 143049410
3-[(E)-C-[4-morpholin-4-yl-6-(2-morpholin-4-ylethoxy)-2-pyridinyl]carbonohydrazonoyl]benzoic acid
CID 87105215
2-[2-amino-6-(3-morpholin-4-ylpropylamino)pyrimidin-4-yl]-4-(2-fluoro-4-methylanilino)phenol
CID 142680292

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol?
The IUPAC name of (3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol (CID 142669009) is (3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol.
What is the SMILES notation for (3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol?
The canonical SMILES for (3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol is Nc1nc(OCCN2CCOCC2)cc(-c2cc(N3C[C@H](O)[C@@H](O)C3)ccc2O)n1.
What is the InChIKey of (3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol?
The InChIKey is ATBYSLIFVJOZNT-ROUUACIJSA-N. The full InChI is InChI=1S/C20H27N5O5/c21-20-22-15(10-19(23-20)30-8-5-24-3-6-29-7-4-24)14-9-13(1-2-16(14)26)25-11-17(27)18(28)12-25/h1-2,9-10,17-18,26-28H,3-8,11-12H2,(H2,21,22,23)/t17-,18-/m0/s1.
What are the key properties of (3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol?
(3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol has a molecular weight of 417.47 g/mol, XLogP of -0.32, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-[3-[2-amino-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]-4-hydroxyphenyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 142669009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).