5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide

C24H25F2N5O4 — CID 56600142

IUPAC5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide
SMILESCC[C@]1(O)[C@H](O)C[C@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ncc2N)O[C@@H]1C
InChIInChI=1S/C24H25F2N5O4/c1-3-24(34)12(2)35-18(9-19(24)32)13-7-8-28-11-17(13)30-23(33)21-16(27)10-29-22(31-21)20-14(25)5-4-6-15(20)26/h4-8,10-12,18-19,32,34H,3,9,27H2,1-2H3,(H,30,33)/t12-,18-,19-,24-/m1/s1
InChIKeySHEUFXBZTLACAY-REJILBASSA-N
MW485.49 g/mol
LogP3.00
Rot. Bonds5

About 5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide

5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide (PubChem CID 56600142) has the molecular formula C24H25F2N5O4 and a molecular weight of 485.49 g/mol. Its IUPAC name is 5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide
PubChem CID56600142
Molecular FormulaC24H25F2N5O4
Molecular Weight485.49 g/mol
Exact Mass485.19
IUPAC Name5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide
SMILESCC[C@]1(O)[C@H](O)C[C@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ncc2N)O[C@@H]1C
InChIInChI=1S/C24H25F2N5O4/c1-3-24(34)12(2)35-18(9-19(24)32)13-7-8-28-11-17(13)30-23(33)21-16(27)10-29-22(31-21)20-14(25)5-4-6-15(20)26/h4-8,10-12,18-19,32,34H,3,9,27H2,1-2H3,(H,30,33)/t12-,18-,19-,24-/m1/s1
InChIKeySHEUFXBZTLACAY-REJILBASSA-N
XLogP3.00
TPSA143.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.49
LogP ≤ 53.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide (CID 56600142) is 5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide is CC[C@]1(O)[C@H](O)C[C@H](c2ccncc2NC(=O)c2nc(-c3c(F)cccc3F)ncc2N)O[C@@H]1C.
What is the InChIKey of 5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide?
The InChIKey is SHEUFXBZTLACAY-REJILBASSA-N. The full InChI is InChI=1S/C24H25F2N5O4/c1-3-24(34)12(2)35-18(9-19(24)32)13-7-8-28-11-17(13)30-23(33)21-16(27)10-29-22(31-21)20-14(25)5-4-6-15(20)26/h4-8,10-12,18-19,32,34H,3,9,27H2,1-2H3,(H,30,33)/t12-,18-,19-,24-/m1/s1.
What are the key properties of 5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide?
5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide has a molecular weight of 485.49 g/mol, XLogP of 3.00, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2,6-difluorophenyl)-N-[4-[(2R,4R,5S,6R)-5-ethyl-4,5-dihydroxy-6-methyloxan-2-yl]-3-pyridinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 56600142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).