(3S,4S)-1-(2-amino-6-methylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol

C12H20N4O2 — CID 72844887

IUPAC(3S,4S)-1-(2-amino-6-methylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol
SMILESCc1cc(N2C[C@H](OC(C)C)[C@@H](O)C2)nc(N)n1
InChIInChI=1S/C12H20N4O2/c1-7(2)18-10-6-16(5-9(10)17)11-4-8(3)14-12(13)15-11/h4,7,9-10,17H,5-6H2,1-3H3,(H2,13,14,15)/t9-,10-/m0/s1
InChIKeyVLALZVUEOOMUIS-UWVGGRQHSA-N
MW252.32 g/mol
LogP0.34
Rot. Bonds3

About (3S,4S)-1-(2-amino-6-methylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol

(3S,4S)-1-(2-amino-6-methylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol (PubChem CID 72844887) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (3S,4S)-1-(2-amino-6-methylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-1-(2-amino-6-methylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol
PubChem CID72844887
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(3S,4S)-1-(2-amino-6-methylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol
SMILESCc1cc(N2C[C@H](OC(C)C)[C@@H](O)C2)nc(N)n1
InChIInChI=1S/C12H20N4O2/c1-7(2)18-10-6-16(5-9(10)17)11-4-8(3)14-12(13)15-11/h4,7,9-10,17H,5-6H2,1-3H3,(H2,13,14,15)/t9-,10-/m0/s1
InChIKeyVLALZVUEOOMUIS-UWVGGRQHSA-N
XLogP0.34
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-1-(2-amino-6-methylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol?
The IUPAC name of (3S,4S)-1-(2-amino-6-methylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol (CID 72844887) is (3S,4S)-1-(2-amino-6-methylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-1-(2-amino-6-methylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-1-(2-amino-6-methylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol is Cc1cc(N2C[C@H](OC(C)C)[C@@H](O)C2)nc(N)n1.
What is the InChIKey of (3S,4S)-1-(2-amino-6-methylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol?
The InChIKey is VLALZVUEOOMUIS-UWVGGRQHSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7(2)18-10-6-16(5-9(10)17)11-4-8(3)14-12(13)15-11/h4,7,9-10,17H,5-6H2,1-3H3,(H2,13,14,15)/t9-,10-/m0/s1.
What are the key properties of (3S,4S)-1-(2-amino-6-methylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol?
(3S,4S)-1-(2-amino-6-methylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol has a molecular weight of 252.32 g/mol, XLogP of 0.34, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-1-(2-amino-6-methylpyrimidin-4-yl)-4-propan-2-yloxypyrrolidin-3-ol is sourced from PubChem (CID 72844887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).