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

C13H22N4O2 — CID 72905059

IUPAC(3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol
SMILESCC(C)Oc1cc(N2C[C@@H](C)[C@@](C)(O)C2)nc(N)n1
InChIInChI=1S/C13H22N4O2/c1-8(2)19-11-5-10(15-12(14)16-11)17-6-9(3)13(4,18)7-17/h5,8-9,18H,6-7H2,1-4H3,(H2,14,15,16)/t9-,13+/m1/s1
InChIKeyPRFNUAAAVMZXRL-RNCFNFMXSA-N
MW266.34 g/mol
LogP1.05
Rot. Bonds3

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

(3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol (PubChem CID 72905059) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol
PubChem CID72905059
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name(3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol
SMILESCC(C)Oc1cc(N2C[C@@H](C)[C@@](C)(O)C2)nc(N)n1
InChIInChI=1S/C13H22N4O2/c1-8(2)19-11-5-10(15-12(14)16-11)17-6-9(3)13(4,18)7-17/h5,8-9,18H,6-7H2,1-4H3,(H2,14,15,16)/t9-,13+/m1/s1
InChIKeyPRFNUAAAVMZXRL-RNCFNFMXSA-N
XLogP1.05
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol?
The IUPAC name of (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol (CID 72905059) is (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol is CC(C)Oc1cc(N2C[C@@H](C)[C@@](C)(O)C2)nc(N)n1.
What is the InChIKey of (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol?
The InChIKey is PRFNUAAAVMZXRL-RNCFNFMXSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(2)19-11-5-10(15-12(14)16-11)17-6-9(3)13(4,18)7-17/h5,8-9,18H,6-7H2,1-4H3,(H2,14,15,16)/t9-,13+/m1/s1.
What are the key properties of (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol?
(3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol has a molecular weight of 266.34 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-3,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 72905059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).