[(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol

C9H14N4O — CID 110202608

IUPAC[(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol
SMILESN[C@@H]1CN(c2ncccn2)C[C@H]1CO
InChIInChI=1S/C9H14N4O/c10-8-5-13(4-7(8)6-14)9-11-2-1-3-12-9/h1-3,7-8,14H,4-6,10H2/t7-,8+/m0/s1
InChIKeyJYAUHIVFKGLJPD-JGVFFNPUSA-N
MW194.24 g/mol
LogP-0.77
Rot. Bonds2

About [(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol

[(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol (PubChem CID 110202608) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is [(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol
PubChem CID110202608
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name[(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol
SMILESN[C@@H]1CN(c2ncccn2)C[C@H]1CO
InChIInChI=1S/C9H14N4O/c10-8-5-13(4-7(8)6-14)9-11-2-1-3-12-9/h1-3,7-8,14H,4-6,10H2/t7-,8+/m0/s1
InChIKeyJYAUHIVFKGLJPD-JGVFFNPUSA-N
XLogP-0.77
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol?
The IUPAC name of [(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol (CID 110202608) is [(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol is N[C@@H]1CN(c2ncccn2)C[C@H]1CO.
What is the InChIKey of [(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol?
The InChIKey is JYAUHIVFKGLJPD-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H14N4O/c10-8-5-13(4-7(8)6-14)9-11-2-1-3-12-9/h1-3,7-8,14H,4-6,10H2/t7-,8+/m0/s1.
What are the key properties of [(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol?
[(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol has a molecular weight of 194.24 g/mol, XLogP of -0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]methanol is sourced from PubChem (CID 110202608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).