(3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol

C16H27N5O2 — CID 72853943

IUPAC(3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)[C@]1(O)CN(c2cc(N3CCOCC3)nc(N)n2)C[C@H]1C
InChIInChI=1S/C16H27N5O2/c1-11(2)16(22)10-21(9-12(16)3)14-8-13(18-15(17)19-14)20-4-6-23-7-5-20/h8,11-12,22H,4-7,9-10H2,1-3H3,(H2,17,18,19)/t12-,16-/m1/s1
InChIKeyUVBRUTSBVBGQNU-MLGOLLRUSA-N
MW321.43 g/mol
LogP0.74
Rot. Bonds3

About (3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol

(3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol (PubChem CID 72853943) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is (3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
PubChem CID72853943
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name(3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol
SMILESCC(C)[C@]1(O)CN(c2cc(N3CCOCC3)nc(N)n2)C[C@H]1C
InChIInChI=1S/C16H27N5O2/c1-11(2)16(22)10-21(9-12(16)3)14-8-13(18-15(17)19-14)20-4-6-23-7-5-20/h8,11-12,22H,4-7,9-10H2,1-3H3,(H2,17,18,19)/t12-,16-/m1/s1
InChIKeyUVBRUTSBVBGQNU-MLGOLLRUSA-N
XLogP0.74
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol with MolForge

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Launch Full Analysis

Related Compounds

2-[(3R)-1-(6-amino-2-methylpyrimidin-4-yl)pyrrolidin-3-yl]propan-2-ol
CID 165129774
1-{6-[(3R*,4R*)-3-cyclopropyl-3-hydroxy-4-methyl-1-pyrrolidinyl]-4-pyrimidinyl}-4-piperidinol
CID 72878549
1-{6-[(3R*,4R*)-3-cyclobutyl-3-hydroxy-4-methyl-1-pyrrolidinyl]-4-pyrimidinyl}-4-piperidinol
CID 72912658
(3R)-1-[2-amino-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3,4,4-trimethylpyrrolidin-3-ol
CID 72849736
(3R*,4S*)-3,4-dimethyl-1-[6-(4-morpholinyl)-4-pyrimidinyl]-4-piperidinol
CID 72915704
1-[6-(2-Cyclopropyl-6-methylmorpholin-4-yl)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 122154466
1-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 136583774
1-[6-[[1-(2-Methoxyethyl)piperidin-4-yl]amino]pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 138033421
(3S,4S)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol
CID 164641100
2-[[2-Amino-6-[3-(hydroxymethyl)-5-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 171359916
(3R,4R)-1-(6-amino-2-morpholin-4-ylpyrimidin-4-yl)-4-fluoropyrrolidin-3-ol
CID 132422967
(3S*,4S*)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-piperidin-1-ylpyrrolidin-3-ol
CID 50965609

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol (CID 72853943) is (3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol is CC(C)[C@]1(O)CN(c2cc(N3CCOCC3)nc(N)n2)C[C@H]1C.
What is the InChIKey of (3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol?
The InChIKey is UVBRUTSBVBGQNU-MLGOLLRUSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-11(2)16(22)10-21(9-12(16)3)14-8-13(18-15(17)19-14)20-4-6-23-7-5-20/h8,11-12,22H,4-7,9-10H2,1-3H3,(H2,17,18,19)/t12-,16-/m1/s1.
What are the key properties of (3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol?
(3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol has a molecular weight of 321.43 g/mol, XLogP of 0.74, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-amino-6-morpholin-4-ylpyrimidin-4-yl)-4-methyl-3-propan-2-ylpyrrolidin-3-ol is sourced from PubChem (CID 72853943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).