6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-(methylamino)-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]pyridin-3-ol

C21H24FN7O — CID 137150144

IUPAC6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-(methylamino)-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]pyridin-3-ol
SMILESCNc1nc(-c2nc(-c3ccnc(N)c3F)ccc2O)cc(C2CCN(C)CC2)n1
InChIInChI=1S/C21H24FN7O/c1-24-21-27-15(12-6-9-29(2)10-7-12)11-16(28-21)19-17(30)4-3-14(26-19)13-5-8-25-20(23)18(13)22/h3-5,8,11-12,30H,6-7,9-10H2,1-2H3,(H2,23,25)(H,24,27,28)
InChIKeyNIQVAKZPAOLBKL-UHFFFAOYSA-N
MW409.47 g/mol
LogP2.88
Rot. Bonds4

About 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-(methylamino)-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]pyridin-3-ol

6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-(methylamino)-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]pyridin-3-ol (PubChem CID 137150144) has the molecular formula C21H24FN7O and a molecular weight of 409.47 g/mol. Its IUPAC name is 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-(methylamino)-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]pyridin-3-ol.

Molecular Properties

Compound Name6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-(methylamino)-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]pyridin-3-ol
PubChem CID137150144
Molecular FormulaC21H24FN7O
Molecular Weight409.47 g/mol
Exact Mass409.20
IUPAC Name6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-(methylamino)-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]pyridin-3-ol
SMILESCNc1nc(-c2nc(-c3ccnc(N)c3F)ccc2O)cc(C2CCN(C)CC2)n1
InChIInChI=1S/C21H24FN7O/c1-24-21-27-15(12-6-9-29(2)10-7-12)11-16(28-21)19-17(30)4-3-14(26-19)13-5-8-25-20(23)18(13)22/h3-5,8,11-12,30H,6-7,9-10H2,1-2H3,(H2,23,25)(H,24,27,28)
InChIKeyNIQVAKZPAOLBKL-UHFFFAOYSA-N
XLogP2.88
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-(methylamino)-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]pyridin-3-ol?
The IUPAC name of 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-(methylamino)-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]pyridin-3-ol (CID 137150144) is 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-(methylamino)-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]pyridin-3-ol.
What is the SMILES notation for 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-(methylamino)-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]pyridin-3-ol?
The canonical SMILES for 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-(methylamino)-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]pyridin-3-ol is CNc1nc(-c2nc(-c3ccnc(N)c3F)ccc2O)cc(C2CCN(C)CC2)n1.
What is the InChIKey of 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-(methylamino)-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]pyridin-3-ol?
The InChIKey is NIQVAKZPAOLBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN7O/c1-24-21-27-15(12-6-9-29(2)10-7-12)11-16(28-21)19-17(30)4-3-14(26-19)13-5-8-25-20(23)18(13)22/h3-5,8,11-12,30H,6-7,9-10H2,1-2H3,(H2,23,25)(H,24,27,28).
What are the key properties of 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-(methylamino)-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]pyridin-3-ol?
6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-(methylamino)-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]pyridin-3-ol has a molecular weight of 409.47 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-amino-3-fluoro-4-pyridinyl)-2-[2-(methylamino)-6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]pyridin-3-ol is sourced from PubChem (CID 137150144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).