4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one

C9H15N3O4 — CID 136870602

IUPAC4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOCC(CO)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C9H15N3O4/c1-15-4-6(3-13)12-8-7(16-2)9(14)11-5-10-8/h5-6,13H,3-4H2,1-2H3,(H2,10,11,12,14)
InChIKeyBZOWZQTZGOPNRO-UHFFFAOYSA-N
MW229.24 g/mol
LogP-0.80
Rot. Bonds6

About 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one

4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136870602) has the molecular formula C9H15N3O4 and a molecular weight of 229.24 g/mol. Its IUPAC name is 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136870602
Molecular FormulaC9H15N3O4
Molecular Weight229.24 g/mol
Exact Mass229.11
IUPAC Name4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one
SMILESCOCC(CO)Nc1nc[nH]c(=O)c1OC
InChIInChI=1S/C9H15N3O4/c1-15-4-6(3-13)12-8-7(16-2)9(14)11-5-10-8/h5-6,13H,3-4H2,1-2H3,(H2,10,11,12,14)
InChIKeyBZOWZQTZGOPNRO-UHFFFAOYSA-N
XLogP-0.80
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 5-0.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one (CID 136870602) is 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one is COCC(CO)Nc1nc[nH]c(=O)c1OC.
What is the InChIKey of 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is BZOWZQTZGOPNRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O4/c1-15-4-6(3-13)12-8-7(16-2)9(14)11-5-10-8/h5-6,13H,3-4H2,1-2H3,(H2,10,11,12,14).
What are the key properties of 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one?
4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 229.24 g/mol, XLogP of -0.80, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxy-3-methoxypropan-2-yl)amino]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136870602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).