4-[(5-amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol

C13H16FN5O — CID 163410562

IUPAC4-[(5-amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESNc1ncc(F)c2nc(NC3CCC(O)CC3)ncc12
InChIInChI=1S/C13H16FN5O/c14-10-6-16-12(15)9-5-17-13(19-11(9)10)18-7-1-3-8(20)4-2-7/h5-8,20H,1-4H2,(H2,15,16)(H,17,18,19)
InChIKeyAACGMPGRAQIXFT-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.46
Rot. Bonds2

About 4-[(5-amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol

4-[(5-amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol (PubChem CID 163410562) has the molecular formula C13H16FN5O and a molecular weight of 277.30 g/mol. Its IUPAC name is 4-[(5-amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(5-amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
PubChem CID163410562
Molecular FormulaC13H16FN5O
Molecular Weight277.30 g/mol
Exact Mass277.13
IUPAC Name4-[(5-amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol
SMILESNc1ncc(F)c2nc(NC3CCC(O)CC3)ncc12
InChIInChI=1S/C13H16FN5O/c14-10-6-16-12(15)9-5-17-13(19-11(9)10)18-7-1-3-8(20)4-2-7/h5-8,20H,1-4H2,(H2,15,16)(H,17,18,19)
InChIKeyAACGMPGRAQIXFT-UHFFFAOYSA-N
XLogP1.46
TPSA96.95 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(5-amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol (CID 163410562) is 4-[(5-amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(5-amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(5-amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol is Nc1ncc(F)c2nc(NC3CCC(O)CC3)ncc12.
What is the InChIKey of 4-[(5-amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol?
The InChIKey is AACGMPGRAQIXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN5O/c14-10-6-16-12(15)9-5-17-13(19-11(9)10)18-7-1-3-8(20)4-2-7/h5-8,20H,1-4H2,(H2,15,16)(H,17,18,19).
What are the key properties of 4-[(5-amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol?
4-[(5-amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol has a molecular weight of 277.30 g/mol, XLogP of 1.46, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-8-fluoropyrido[4,3-d]pyrimidin-2-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 163410562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).