(3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol

C16H27N5O3 — CID 56870035

IUPAC(3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol
SMILESCC(C)Oc1cc(N2CC[C@@H](N3CCOCC3)[C@H](O)C2)nc(N)n1
InChIInChI=1S/C16H27N5O3/c1-11(2)24-15-9-14(18-16(17)19-15)21-4-3-12(13(22)10-21)20-5-7-23-8-6-20/h9,11-13,22H,3-8,10H2,1-2H3,(H2,17,18,19)/t12-,13-/m1/s1
InChIKeyFTXQMNBRTWJLEG-CHWSQXEVSA-N
MW337.42 g/mol
LogP0.12
Rot. Bonds4

About (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol

(3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol (PubChem CID 56870035) has the molecular formula C16H27N5O3 and a molecular weight of 337.42 g/mol. Its IUPAC name is (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol
PubChem CID56870035
Molecular FormulaC16H27N5O3
Molecular Weight337.42 g/mol
Exact Mass337.21
IUPAC Name(3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol
SMILESCC(C)Oc1cc(N2CC[C@@H](N3CCOCC3)[C@H](O)C2)nc(N)n1
InChIInChI=1S/C16H27N5O3/c1-11(2)24-15-9-14(18-16(17)19-15)21-4-3-12(13(22)10-21)20-5-7-23-8-6-20/h9,11-13,22H,3-8,10H2,1-2H3,(H2,17,18,19)/t12-,13-/m1/s1
InChIKeyFTXQMNBRTWJLEG-CHWSQXEVSA-N
XLogP0.12
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol with MolForge

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Related Compounds

(4aS,9aS)-7-(6-methoxypyrimidin-4-yl)-4-methyl-2,3,4a,5,6,8,9,9a-octahydro-[1,4]oxazino[2,3-d]azepine
CID 97511034
1-(2-Amino-6-isopropoxypyrimidin-4-YL)piperidin-3-OL
CID 50951061
4-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-6-isopropoxypyrimidin-2-amine
CID 50972422
(3R*,4R*)-1-(2-amino-6-isopropoxy-4-pyrimidinyl)-4-(hydroxymethyl)-3-piperidinol
CID 56894006
1'-(2-Amino-6-isopropoxy-4-pyrimidinyl)-1,4'-bipiperidin-4-ol
CID 72839277
(1R*,3S*)-7-(2-amino-6-isopropoxy-4-pyrimidinyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72858530
(2R*,6S*)-4-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]-2,6-dimethylmorpholine
CID 50954831
2-[4-(2-Amino-6-isopropoxypyrimidin-4-yl)piperazin-1-yl]ethanol
CID 50965721
trans-(1S,2S)-2-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)amino]cyclohexan-1-ol
CID 50983066
4-Propan-2-yloxy-6-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-2-amine
CID 56874671
(2S)-3-[(2-amino-6-propan-2-yloxypyrimidin-4-yl)-methylamino]propane-1,2-diol
CID 95125456
[(9aR)-8-(6-ethoxy-2-methylpyrimidin-4-yl)-1,3,4,6,7,9-hexahydropyrazino[2,1-c][1,4]oxazin-9a-yl]methanol
CID 164631378

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol?
The IUPAC name of (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol (CID 56870035) is (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol?
The canonical SMILES for (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol is CC(C)Oc1cc(N2CC[C@@H](N3CCOCC3)[C@H](O)C2)nc(N)n1.
What is the InChIKey of (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol?
The InChIKey is FTXQMNBRTWJLEG-CHWSQXEVSA-N. The full InChI is InChI=1S/C16H27N5O3/c1-11(2)24-15-9-14(18-16(17)19-15)21-4-3-12(13(22)10-21)20-5-7-23-8-6-20/h9,11-13,22H,3-8,10H2,1-2H3,(H2,17,18,19)/t12-,13-/m1/s1.
What are the key properties of (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol?
(3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol has a molecular weight of 337.42 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-4-morpholin-4-ylpiperidin-3-ol is sourced from PubChem (CID 56870035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).