3-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one

C10H17N3O2 — CID 63768320

IUPAC3-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one
SMILESCC(C)NCC(O)Cn1cnccc1=O
InChIInChI=1S/C10H17N3O2/c1-8(2)12-5-9(14)6-13-7-11-4-3-10(13)15/h3-4,7-9,12,14H,5-6H2,1-2H3
InChIKeyQWNTXOVNMWQQTB-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.40
Rot. Bonds5

About 3-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one

3-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one (PubChem CID 63768320) has the molecular formula C10H17N3O2 and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one
PubChem CID63768320
Molecular FormulaC10H17N3O2
Molecular Weight211.27 g/mol
Exact Mass211.13
IUPAC Name3-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one
SMILESCC(C)NCC(O)Cn1cnccc1=O
InChIInChI=1S/C10H17N3O2/c1-8(2)12-5-9(14)6-13-7-11-4-3-10(13)15/h3-4,7-9,12,14H,5-6H2,1-2H3
InChIKeyQWNTXOVNMWQQTB-UHFFFAOYSA-N
XLogP-0.40
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one?
The IUPAC name of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one (CID 63768320) is 3-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one.
What is the SMILES notation for 3-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one?
The canonical SMILES for 3-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one is CC(C)NCC(O)Cn1cnccc1=O.
What is the InChIKey of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one?
The InChIKey is QWNTXOVNMWQQTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-8(2)12-5-9(14)6-13-7-11-4-3-10(13)15/h3-4,7-9,12,14H,5-6H2,1-2H3.
What are the key properties of 3-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one?
3-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one has a molecular weight of 211.27 g/mol, XLogP of -0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(propan-2-ylamino)propyl]pyrimidin-4-one is sourced from PubChem (CID 63768320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).