(3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol

C11H18N4O2 — CID 50968139

IUPAC(3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol
SMILESCC(C)Oc1cc(N2CC[C@@H](O)C2)nc(N)n1
InChIInChI=1S/C11H18N4O2/c1-7(2)17-10-5-9(13-11(12)14-10)15-4-3-8(16)6-15/h5,7-8,16H,3-4,6H2,1-2H3,(H2,12,13,14)/t8-/m1/s1
InChIKeyNQJNNLLPWZORNN-MRVPVSSYSA-N
MW238.29 g/mol
LogP0.42
Rot. Bonds3

About (3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol

(3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 50968139) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is (3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID50968139
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name(3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol
SMILESCC(C)Oc1cc(N2CC[C@@H](O)C2)nc(N)n1
InChIInChI=1S/C11H18N4O2/c1-7(2)17-10-5-9(13-11(12)14-10)15-4-3-8(16)6-15/h5,7-8,16H,3-4,6H2,1-2H3,(H2,12,13,14)/t8-/m1/s1
InChIKeyNQJNNLLPWZORNN-MRVPVSSYSA-N
XLogP0.42
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]piperidin-4-ol
CID 72839277
1-(2-amino-6-chloropyrimidin-4-yl)pyrrolidin-3-ol
CID 72687128
(1S,3R)-7-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72858530
N-[1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 50982057
4-[4-(1-azabicyclo[2.2.2]octan-3-yl)piperazin-1-yl]-6-propan-2-yloxypyrimidin-2-amine
CID 72897316
(3S)-1-[2-amino-6-(cyclopropylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 122456358
(3R)-1-[6-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylpyrimidin-4-yl]pyrrolidin-3-ol
CID 167833801
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
1-(2-amino-6-chloropyrimidin-4-yl)piperidin-3-ol
CID 47151307
4-(3-aminopyrrolidin-1-yl)-6-(propan-2-yloxymethyl)pyrimidin-2-amine
CID 66740107
1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-3-ol
CID 80935425
4-(4-piperidin-1-ylsulfonyl-1,4-diazepan-1-yl)-6-propan-2-yloxypyrimidin-2-amine
CID 134696150

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol (CID 50968139) is (3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol is CC(C)Oc1cc(N2CC[C@@H](O)C2)nc(N)n1.
What is the InChIKey of (3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is NQJNNLLPWZORNN-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-7(2)17-10-5-9(13-11(12)14-10)15-4-3-8(16)6-15/h5,7-8,16H,3-4,6H2,1-2H3,(H2,12,13,14)/t8-/m1/s1.
What are the key properties of (3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol?
(3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 238.29 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 50968139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).