2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one

C8H13N3O3 — CID 169242772

IUPAC2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one
SMILESCO[C@H](CO)Cn1ccc(=O)nc1N
InChIInChI=1S/C8H13N3O3/c1-14-6(5-12)4-11-3-2-7(13)10-8(11)9/h2-3,6,12H,4-5H2,1H3,(H2,9,10,13)/t6-/m0/s1
InChIKeyPNHNBTCSWKPOSQ-LURJTMIESA-N
MW199.21 g/mol
LogP-1.17
Rot. Bonds4

About 2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one

2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one (PubChem CID 169242772) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one
PubChem CID169242772
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one
SMILESCO[C@H](CO)Cn1ccc(=O)nc1N
InChIInChI=1S/C8H13N3O3/c1-14-6(5-12)4-11-3-2-7(13)10-8(11)9/h2-3,6,12H,4-5H2,1H3,(H2,9,10,13)/t6-/m0/s1
InChIKeyPNHNBTCSWKPOSQ-LURJTMIESA-N
XLogP-1.17
TPSA90.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one?
The IUPAC name of 2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one (CID 169242772) is 2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one.
What is the SMILES notation for 2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one?
The canonical SMILES for 2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one is CO[C@H](CO)Cn1ccc(=O)nc1N.
What is the InChIKey of 2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one?
The InChIKey is PNHNBTCSWKPOSQ-LURJTMIESA-N. The full InChI is InChI=1S/C8H13N3O3/c1-14-6(5-12)4-11-3-2-7(13)10-8(11)9/h2-3,6,12H,4-5H2,1H3,(H2,9,10,13)/t6-/m0/s1.
What are the key properties of 2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one?
2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one has a molecular weight of 199.21 g/mol, XLogP of -1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[(2S)-3-hydroxy-2-methoxypropyl]pyrimidin-4-one is sourced from PubChem (CID 169242772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).