4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one

C8H13N3O4 — CID 136866839

IUPAC4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC(CO)(CO)CO)nc[nH]1
InChIInChI=1S/C8H13N3O4/c12-2-8(3-13,4-14)11-6-1-7(15)10-5-9-6/h1,5,12-14H,2-4H2,(H2,9,10,11,15)
InChIKeyPYFIAEFHRBGTCB-UHFFFAOYSA-N
MW215.21 g/mol
LogP-2.10
Rot. Bonds5

About 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one

4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136866839) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
PubChem CID136866839
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC(CO)(CO)CO)nc[nH]1
InChIInChI=1S/C8H13N3O4/c12-2-8(3-13,4-14)11-6-1-7(15)10-5-9-6/h1,5,12-14H,2-4H2,(H2,9,10,11,15)
InChIKeyPYFIAEFHRBGTCB-UHFFFAOYSA-N
XLogP-2.10
TPSA118.47 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-2.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one (CID 136866839) is 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one is O=c1cc(NC(CO)(CO)CO)nc[nH]1.
What is the InChIKey of 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is PYFIAEFHRBGTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c12-2-8(3-13,4-14)11-6-1-7(15)10-5-9-6/h1,5,12-14H,2-4H2,(H2,9,10,11,15).
What are the key properties of 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one?
4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 215.21 g/mol, XLogP of -2.10, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136866839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).