5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrimidin-6-one

C7H10ClN3O2 — CID 133677196

IUPAC5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrimidin-6-one
SMILESC[C@@H](CO)NC1=NC=C(C(=O)N1)Cl
InChIInChI=1S/C7H10ClN3O2/c1-4(3-12)10-7-9-2-5(8)6(13)11-7/h2,4,12H,3H2,1H3,(H2,9,10,11,13)/t4-/m0/s1
InChIKeyOVOGUZDSDBMMMJ-BYPYZUCNSA-N
MW203.62 g/mol
LogP-0.30
Rot. Bonds3

About 5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrimidin-6-one

5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrimidin-6-one (PubChem CID 133677196) has the molecular formula C7H10ClN3O2 and a molecular weight of 203.62 g/mol. Its IUPAC name is 5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrimidin-6-one
PubChem CID133677196
Molecular FormulaC7H10ClN3O2
Molecular Weight203.62 g/mol
Exact Mass203.05
IUPAC Name5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrimidin-6-one
SMILESC[C@@H](CO)NC1=NC=C(C(=O)N1)Cl
InChIInChI=1S/C7H10ClN3O2/c1-4(3-12)10-7-9-2-5(8)6(13)11-7/h2,4,12H,3H2,1H3,(H2,9,10,11,13)/t4-/m0/s1
InChIKeyOVOGUZDSDBMMMJ-BYPYZUCNSA-N
XLogP-0.30
TPSA73.70 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity275

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 5-0.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrimidin-6-one (CID 133677196) is 5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrimidin-6-one is C[C@@H](CO)NC1=NC=C(C(=O)N1)Cl.
What is the InChIKey of 5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is OVOGUZDSDBMMMJ-BYPYZUCNSA-N. The full InChI is InChI=1S/C7H10ClN3O2/c1-4(3-12)10-7-9-2-5(8)6(13)11-7/h2,4,12H,3H2,1H3,(H2,9,10,11,13)/t4-/m0/s1.
What are the key properties of 5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrimidin-6-one?
5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 203.62 g/mol, XLogP of -0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[(2S)-1-hydroxypropan-2-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 133677196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).