3-(2-amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol

C9H14ClN3O2 — CID 122536457

IUPAC3-(2-amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1nc(N)ncc1Cl
InChIInChI=1S/C9H14ClN3O2/c1-9(2,4-14)5-15-7-6(10)3-12-8(11)13-7/h3,14H,4-5H2,1-2H3,(H2,11,12,13)
InChIKeyNMPVDOMPZXTUMC-UHFFFAOYSA-N
MW231.68 g/mol
LogP1.11
Rot. Bonds4

About 3-(2-amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol

3-(2-amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol (PubChem CID 122536457) has the molecular formula C9H14ClN3O2 and a molecular weight of 231.68 g/mol. Its IUPAC name is 3-(2-amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-(2-amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol
PubChem CID122536457
Molecular FormulaC9H14ClN3O2
Molecular Weight231.68 g/mol
Exact Mass231.08
IUPAC Name3-(2-amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol
SMILESCC(C)(CO)COc1nc(N)ncc1Cl
InChIInChI=1S/C9H14ClN3O2/c1-9(2,4-14)5-15-7-6(10)3-12-8(11)13-7/h3,14H,4-5H2,1-2H3,(H2,11,12,13)
InChIKeyNMPVDOMPZXTUMC-UHFFFAOYSA-N
XLogP1.11
TPSA81.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.68
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-(2-amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol (CID 122536457) is 3-(2-amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-(2-amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-(2-amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol is CC(C)(CO)COc1nc(N)ncc1Cl.
What is the InChIKey of 3-(2-amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol?
The InChIKey is NMPVDOMPZXTUMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O2/c1-9(2,4-14)5-15-7-6(10)3-12-8(11)13-7/h3,14H,4-5H2,1-2H3,(H2,11,12,13).
What are the key properties of 3-(2-amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol?
3-(2-amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol has a molecular weight of 231.68 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-5-chloropyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 122536457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).