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

C11H17N3O4 — CID 136866842

IUPAC2-cyclopropyl-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC(CO)(CO)CO)nc(C2CC2)[nH]1
InChIInChI=1S/C11H17N3O4/c15-4-11(5-16,6-17)14-8-3-9(18)13-10(12-8)7-1-2-7/h3,7,15-17H,1-2,4-6H2,(H2,12,13,14,18)
InChIKeyVHGITMOQIMGKTD-UHFFFAOYSA-N
MW255.27 g/mol
LogP-1.23
Rot. Bonds6

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

2-cyclopropyl-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one (PubChem CID 136866842) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
PubChem CID136866842
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-cyclopropyl-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one
SMILESO=c1cc(NC(CO)(CO)CO)nc(C2CC2)[nH]1
InChIInChI=1S/C11H17N3O4/c15-4-11(5-16,6-17)14-8-3-9(18)13-10(12-8)7-1-2-7/h3,7,15-17H,1-2,4-6H2,(H2,12,13,14,18)
InChIKeyVHGITMOQIMGKTD-UHFFFAOYSA-N
XLogP-1.23
TPSA118.47 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-1.23
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one (CID 136866842) is 2-cyclopropyl-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one is O=c1cc(NC(CO)(CO)CO)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one?
The InChIKey is VHGITMOQIMGKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c15-4-11(5-16,6-17)14-8-3-9(18)13-10(12-8)7-1-2-7/h3,7,15-17H,1-2,4-6H2,(H2,12,13,14,18).
What are the key properties of 2-cyclopropyl-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one has a molecular weight of 255.27 g/mol, XLogP of -1.23, 6 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136866842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).